The compound with the SMILES Oc1cnccn1 has a aqueous phase energy of the lowest unoccupied molecular orbital (LUMO) at the PBE level of theory of -0.11047 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {solutionLumo__names__noun} of {solutionLumo#} {solutionLumo__units}.