Molecule SMILES: CC(N(C)C=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 2.29972, 1.60135, 1.16707
Dipole moment mu (Debye): 3.444
Isotropic polarizability alpha (Bohr^3): 71.77
HOMO energy (Hartree): -0.2246
LUMO energy (Hartree): 0.0137
HOMO-LUMO gap (Hartree): 0.2383
Electronic spatial extent r2 (Bohr^2): 1113.1952
Zero-point vibrational energy (Hartree): 0.15908
Internal energy at 0 K (Hartree): -456.379665
Internal energy at 298.15 K (Hartree): -456.370305
Enthalpy at 298.15 K (Hartree): -456.369361
Free energy at 298.15 K (Hartree): -456.413721
Heat capacity at 298.15 K (cal/mol K): 34.338
Atomization energy at 0 K (kcal/mol): -1786.012978255
Atomization energy at 298.15 K (kcal/mol): -1797.025133696
Atomization enthalpy at 298.15 K (kcal/mol): -1807.694041714
Atomization free energy at 298.15 K (kcal/mol): -1657.256289072