The molecular species with the SMILES representation of Nc1cc2c(O)oc(O)c2c(N)c1N has a optimized gas-phase molecular energy at the PBE level of theory of -683.81581 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}.