Molecule SMILES: CCN(C)C(=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 2.79118, 1.13548, 0.8688
Dipole moment mu (Debye): 8.9282
Isotropic polarizability alpha (Bohr^3): 75.15
HOMO energy (Hartree): -0.2224
LUMO energy (Hartree): -0.0292
HOMO-LUMO gap (Hartree): 0.1932
Electronic spatial extent r2 (Bohr^2): 1347.6602
Zero-point vibrational energy (Hartree): 0.157844
Internal energy at 0 K (Hartree): -456.381732
Internal energy at 298.15 K (Hartree): -456.371714
Enthalpy at 298.15 K (Hartree): -456.37077
Free energy at 298.15 K (Hartree): -456.417073
Heat capacity at 298.15 K (cal/mol K): 35.969
Atomization energy at 0 K (kcal/mol): -1787.310039358
Atomization energy at 298.15 K (kcal/mol): -1797.9092938771
Atomization enthalpy at 298.15 K (kcal/mol): -1808.578201895
Atomization free energy at 298.15 K (kcal/mol): -1659.35969924