The chemical compound with the SMILES representation of Nc1cc(N)c2c(c1N)=C(O)CC=2O has a optimized gas-phase HOMO energy at the PBE level of theory of -0.15454 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}.