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

8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one * Band gap: 2.30 eV in crystal, 2.45 eV in gas (DIPGIS12)
Home Updates Documentation Login/Signup or Logout
New: Dispersion Energies now available! New: Download Optimized Structures in .CIF format