Molecule SMILES: C(C(=O)NC(=O)CO)N
Rotational constants A, B, C (GHz): 5.28875, 0.702, 0.62655
Dipole moment mu (Debye): 4.0034
Isotropic polarizability alpha (Bohr^3): 67.8
HOMO energy (Hartree): -0.2519
LUMO energy (Hartree): -0.0354
HOMO-LUMO gap (Hartree): 0.2165
Electronic spatial extent r2 (Bohr^2): 1713.2529
Zero-point vibrational energy (Hartree): 0.134255
Internal energy at 0 K (Hartree): -492.322625
Internal energy at 298.15 K (Hartree): -492.312354
Enthalpy at 298.15 K (Hartree): -492.31141
Free energy at 298.15 K (Hartree): -492.359607
Heat capacity at 298.15 K (cal/mol K): 34.726
Atomization energy at 0 K (kcal/mol): -1613.886632046
Atomization energy at 298.15 K (kcal/mol): -1622.549393791
Atomization enthalpy at 298.15 K (kcal/mol): -1632.032309799
Atomization free energy at 298.15 K (kcal/mol): -1500.080972297