The compound with the SMILES representation of Oc1cc2c(O)ccc(O)c2nn1 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.22263 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}.