The molecule with the SMILES representation of CN1C(=O)c2c(N)ccc(N)c2C1=O has a gas-phase molecular energy at the PBE level of theory of -849.23403 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}.