The molecule with the SMILES c1cnccn1 has a gaseous phase highest occupied molecular orbital (HOMO) energy at the PBE level of theory of -0.16515 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {gasHomo__names__noun} of {gasHomo#} {gasHomo__units}.