This database is currently under development! Expect some links not to be active. New features are added weekly.

Ethyl (2E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate * Band gap: 2.13 eV in crystal, 2.49 eV in gas (AYUGEH)
Home Updates Documentation Login/Signup or Logout
New: Dispersion Energies now available! New: Download Optimized Structures in .CIF format