Molecule SMILES: [NH3+]CCNC(=O)C([O-])=O
Rotational constants A, B, C (GHz): 3.44081, 0.67969, 0.59002
Dipole moment mu (Debye): 7.1444
Isotropic polarizability alpha (Bohr^3): 69.83
HOMO energy (Hartree): -0.189
LUMO energy (Hartree): 0.0333
HOMO-LUMO gap (Hartree): 0.2223
Electronic spatial extent r2 (Bohr^2): 1800.9015
Zero-point vibrational energy (Hartree): 0.13355
Internal energy at 0 K (Hartree): -492.295143
Internal energy at 298.15 K (Hartree): -492.284419
Enthalpy at 298.15 K (Hartree): -492.283475
Free energy at 298.15 K (Hartree): -492.333592
Heat capacity at 298.15 K (cal/mol K): 35.256
Atomization energy at 0 K (kcal/mol): -1596.6414297081
Atomization energy at 298.15 K (kcal/mol): -1605.0199298761
Atomization enthalpy at 298.15 K (kcal/mol): -1614.5028458841
Atomization free energy at 298.15 K (kcal/mol): -1483.756325662