Molecule SMILES: NC(C([NH3+])CO)C([O-])=O
Rotational constants A, B, C (GHz): 2.89343, 1.02332, 0.79367
Dipole moment mu (Debye): 5.5378
Isotropic polarizability alpha (Bohr^3): 68.09
HOMO energy (Hartree): -0.2435
LUMO energy (Hartree): 0.026
HOMO-LUMO gap (Hartree): 0.2695
Electronic spatial extent r2 (Bohr^2): 1398.0368
Zero-point vibrational energy (Hartree): 0.159447
Internal energy at 0 K (Hartree): -493.502848
Internal energy at 298.15 K (Hartree): -493.492807
Enthalpy at 298.15 K (Hartree): -493.491862
Free energy at 298.15 K (Hartree): -493.538057
Heat capacity at 298.15 K (cal/mol K): 36.255
Atomization energy at 0 K (kcal/mol): -1726.635566639
Atomization energy at 298.15 K (kcal/mol): -1737.2197609421
Atomization enthalpy at 298.15 K (kcal/mol): -1747.8880414511
Atomization free energy at 298.15 K (kcal/mol): -1598.346371661