WebMO allows users to build and view molecules in 3-D, visualize orbitals and symmetry elements, lookup chemical information and properties from external databases, and access state-of-the-art computational chemistry programs.

WebMO is recommended for students and faculty in high school, college, and graduate school who desire mobile access to molecular structures, information, and calculations.

WebMO capabilities include:
- Build molecules by drawing atoms and bonds in a 3-D molecular editor, or by speaking the name (e.g., “aspirin”)
- Optimize structures using VSEPR theory or molecular mechanics
- View Huckel molecular orbitals, electron density, and electrostatic potential
- View molecular vibrations
- View point group and symmetry elements of molecules
- Lookup basic molecular information, including IUPAC and common names, stoichiometry, molar mass
- Lookup chemical data from PubChem and ChemSpider
- Lookup experimental and predicted molecular properties from external databases (NIST, Sigma-Aldrich)
- Lookup IR, UV-VIS, NMR, and mass spectra from external databases (NIST, SDBS)
- Capture high-resolution molecular images
- Save and recall molecular structures locally
- Export and import structures via email

WebMO is also a front-end to WebMO servers (version 14 and higher):
- Supports Gaussian, GAMESS, Molpro, MOPAC, NWChem, ORCA, PQS, PSI, Quantum Espresso, VASP, Q-Chem, and Tinker computational chemistry programs
- Submit, monitor, and view calculations
- View formatted tabular data extracted from output files, as well as raw output
- Visualize geometry, partial charges, dipole moment, normal vibrational modes, molecular orbitals, and NMR/IR/UV-VIS spectra

What’s New

Version 2.0.1

* Updates for recent iOS versions
* Automatically symmetrize molecules after mechanics cleanup
* Updated splash screen
* Updated logo and branding

Ratings and Reviews

4.5 out of 5
23 Ratings

23 Ratings

ferruswheel ,

Fast and a good tool to test your memory

Using version 1.8.6 and I’m extremely satisfied with the ability to generate electrostatic potential map for given molecule. For those of you in ochem when I figured out how to interpret the red and the blue it was a big eureka moment for me. Its the most responsive finger touch drawer ‘I’ve tried’ on my iPhone. Saving photos and emailing MOL and PBD files is goes quickly. Only suggestion is to make the periodic table tab start off with H C N O F Br Cl I S P and in the bottom corner a periodic table that you can enlarge to access Mg Li Hg etc because I keep hitting oxygen when I need nitrogen vice versa. Than again my screen is small.

Euler Wiles ,

Rich functionality, intuitive interface

Nice array of functionality with an intuitive interface. There is a decent variety of information that you can obtain about a molecule; Pm6 calculation results can be generated.

Tux Kenobi ,

Could be great if it didn't crash

It could be a great teaching app but keeps crashing constantly. I've installed it on my iPhone 8 with iOS 13.2 and also on my iPad mini gen 1 iOS 9.3.6, happens in both.
I truly hope it is fixed on next releases, only then I'll pay for it. Until then I'll keep using iSpartan for my classes does similar things but requires internet connection and does not offers free servers for submitting calculations.

App Privacy

The developer, WebMO, LLC, has not provided details about its privacy practices and handling of data to Apple. For more information, see the developer’s privacy policy.

No Details Provided

The developer will be required to provide privacy details when they submit their next app update.


  • Family Sharing

    With Family Sharing set up, up to six family members can use this app.

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