Molecule SMILES: CNC(=O)C([NH3+])C([O-])=O
Rotational constants A, B, C (GHz): 2.46561, 1.26953, 0.90732
Dipole moment mu (Debye): 2.4654
Isotropic polarizability alpha (Bohr^3): 66.28
HOMO energy (Hartree): -0.2618
LUMO energy (Hartree): -0.0022
HOMO-LUMO gap (Hartree): 0.2596
Electronic spatial extent r2 (Bohr^2): 1267.7479
Zero-point vibrational energy (Hartree): 0.136283
Internal energy at 0 K (Hartree): -492.354868
Internal energy at 298.15 K (Hartree): -492.345443
Enthalpy at 298.15 K (Hartree): -492.344499
Free energy at 298.15 K (Hartree): -492.389965
Heat capacity at 298.15 K (cal/mol K): 33.198
Atomization energy at 0 K (kcal/mol): -1634.1194047331
Atomization energy at 298.15 K (kcal/mol): -1643.3130390921
Atomization enthalpy at 298.15 K (kcal/mol): -1652.7959551
Atomization free energy at 298.15 K (kcal/mol): -1519.130890519