The compound with the SMILES O=C(O)c1cc(C(=O)O)c2ccnc(C(=O)O)c2n1 has a optimized gas-phase molecular energy at the PBE level of theory of -814.09019 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {optGasEnergy__names__noun} of {optGasEnergy#} {optGasEnergy__units}.