Molecule SMILES: C[NH2+]C(C)C([O-])=O
Rotational constants A, B, C (GHz): 4.12467, 1.9553, 1.42274
Dipole moment mu (Debye): 5.0747
Isotropic polarizability alpha (Bohr^3): 57.06
HOMO energy (Hartree): -0.246
LUMO energy (Hartree): 0.02
HOMO-LUMO gap (Hartree): 0.2661
Electronic spatial extent r2 (Bohr^2): 855.5611
Zero-point vibrational energy (Hartree): 0.136425
Internal energy at 0 K (Hartree): -362.946041
Internal energy at 298.15 K (Hartree): -362.938092
Enthalpy at 298.15 K (Hartree): -362.937147
Free energy at 298.15 K (Hartree): -362.978421
Heat capacity at 298.15 K (cal/mol K): 28.021
Atomization energy at 0 K (kcal/mol): -1470.552908793
Atomization energy at 298.15 K (kcal/mol): -1479.784193692
Atomization enthalpy at 298.15 K (kcal/mol): -1488.674741204
Atomization free energy at 298.15 K (kcal/mol): -1365.9923391411