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 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 NMRShiftDB)
- 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 16 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