The chemical compound with the SMILES NC1=CNC=C2NC(N)=C(N)C=C12 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.08074 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}.