The molecular species with the SMILES representation of Oc1cnccn1 has a gaseous phase HOMO energy at the PBE level of theory of -0.23784 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}.