Molecule SMILES: CNC(=[NH2+])C(O)C([O-])=O
Rotational constants A, B, C (GHz): 2.47179, 1.34135, 0.93328
Dipole moment mu (Debye): 8.8752
Isotropic polarizability alpha (Bohr^3): 68.68
HOMO energy (Hartree): -0.2284
LUMO energy (Hartree): -0.0283
HOMO-LUMO gap (Hartree): 0.2001
Electronic spatial extent r2 (Bohr^2): 1229.9128
Zero-point vibrational energy (Hartree): 0.134439
Internal energy at 0 K (Hartree): -492.329522
Internal energy at 298.15 K (Hartree): -492.320277
Enthalpy at 298.15 K (Hartree): -492.319333
Free energy at 298.15 K (Hartree): -492.363725
Heat capacity at 298.15 K (cal/mol K): 33.553
Atomization energy at 0 K (kcal/mol): -1618.2145616191
Atomization energy at 298.15 K (kcal/mol): -1627.521147598
Atomization enthalpy at 298.15 K (kcal/mol): -1637.004063606
Atomization free energy at 298.15 K (kcal/mol): -1502.665054359