Molecule SMILES: CN(C)C(=[NH2+])CC([O-])=O
Rotational constants A, B, C (GHz): 2.64555, 0.76503, 0.63309
Dipole moment mu (Debye): 1.1194
Isotropic polarizability alpha (Bohr^3): 75.16
HOMO energy (Hartree): -0.1909
LUMO energy (Hartree): 0.045
HOMO-LUMO gap (Hartree): 0.236
Electronic spatial extent r2 (Bohr^2): 1742.1297
Zero-point vibrational energy (Hartree): 0.155279
Internal energy at 0 K (Hartree): -456.391606
Internal energy at 298.15 K (Hartree): -456.379921
Enthalpy at 298.15 K (Hartree): -456.378977
Free energy at 298.15 K (Hartree): -456.432082
Heat capacity at 298.15 K (cal/mol K): 38.754
Atomization energy at 0 K (kcal/mol): -1793.5060632241
Atomization energy at 298.15 K (kcal/mol): -1803.0592602401
Atomization enthalpy at 298.15 K (kcal/mol): -1813.728168258
Atomization free energy at 298.15 K (kcal/mol): -1668.777981821