The chemical with the SMILES NC1=c2cc(N)cc(N)c2=C(N)NN1 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.16992 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}.