The chemical compound with the SMILES Nc1cc2c(c(N)c1N)=C(O)CC=2O has a optimized gas-phase HOMO energy at the PBE level of theory of -0.10887 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {optGasHomo__names__noun} of {optGasHomo#} {optGasHomo__units}.