Molecule SMILES: CCCNC(=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 4.07667, 0.71101, 0.61234
Dipole moment mu (Debye): 9.2167
Isotropic polarizability alpha (Bohr^3): 75.57
HOMO energy (Hartree): -0.2277
LUMO energy (Hartree): -0.0297
HOMO-LUMO gap (Hartree): 0.1979
Electronic spatial extent r2 (Bohr^2): 1798.5915
Zero-point vibrational energy (Hartree): 0.158324
Internal energy at 0 K (Hartree): -456.39681
Internal energy at 298.15 K (Hartree): -456.386604
Enthalpy at 298.15 K (Hartree): -456.38566
Free energy at 298.15 K (Hartree): -456.434539
Heat capacity at 298.15 K (cal/mol K): 35.559
Atomization energy at 0 K (kcal/mol): -1796.7716200601
Atomization energy at 298.15 K (kcal/mol): -1807.252902887
Atomization enthalpy at 298.15 K (kcal/mol): -1817.921810905
Atomization free energy at 298.15 K (kcal/mol): -1670.319771434