The molecular species with the SMILES representation of Nc1cnc2cc(N)c(N)cc2n1 has a gas-phase molecular energy at the PBE level of theory of -718.11864 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {gasEnergy__names__noun} of {gasEnergy#} {gasEnergy__units}.