Molecule SMILES: C(C(=O)C(=N)NC=O)O
Rotational constants A, B, C (GHz): 4.75304, 0.83745, 0.71513
Dipole moment mu (Debye): 0.8916
Isotropic polarizability alpha (Bohr^3): 65.62
HOMO energy (Hartree): -0.2605
LUMO energy (Hartree): -0.0774
HOMO-LUMO gap (Hartree): 0.1831
Electronic spatial extent r2 (Bohr^2): 1471.8011
Zero-point vibrational energy (Hartree): 0.111101
Internal energy at 0 K (Hartree): -491.118236
Internal energy at 298.15 K (Hartree): -491.10894
Enthalpy at 298.15 K (Hartree): -491.107996
Free energy at 298.15 K (Hartree): -491.153133
Heat capacity at 298.15 K (cal/mol K): 31.9
Atomization energy at 0 K (kcal/mol): -1485.9733149591
Atomization energy at 298.15 K (kcal/mol): -1493.470792491
Atomization enthalpy at 298.15 K (kcal/mol): -1501.767716489
Atomization free energy at 298.15 K (kcal/mol): -1384.2302607171