The molecule with the SMILES Nc1nc(N)c(N)nc1N has a optimized gas-phase molecular energy at the PBE level of theory of -485.25189 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {optGasEnergy__names__noun} of {optGasEnergy#} {optGasEnergy__units}.