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

(Z)-2-(Cyclohexylmethylidene)-1-azabicyclo(2.2.2)octan-3-one * Band gap: 2.21 eV in crystal, 2.39 eV in gas (TERREO)
Home Updates Documentation Login/Signup or Logout
New: Dispersion Energies now available! New: Download Optimized Structures in .CIF format