Molecule SMILES: C[NH2+]CC(C)(O)C([O-])=O
Rotational constants A, B, C (GHz): 1.95068, 1.42964, 1.19659
Dipole moment mu (Debye): 4.2744
Isotropic polarizability alpha (Bohr^3): 70.68
HOMO energy (Hartree): -0.246
LUMO energy (Hartree): 0.0183
HOMO-LUMO gap (Hartree): 0.2643
Electronic spatial extent r2 (Bohr^2): 1181.858
Zero-point vibrational energy (Hartree): 0.169956
Internal energy at 0 K (Hartree): -477.456139
Internal energy at 298.15 K (Hartree): -477.446175
Enthalpy at 298.15 K (Hartree): -477.44523
Free energy at 298.15 K (Hartree): -477.491097
Heat capacity at 298.15 K (cal/mol K): 36.548
Atomization energy at 0 K (kcal/mol): -1845.9294201021
Atomization energy at 298.15 K (kcal/mol): -1857.451112851
Atomization enthalpy at 298.15 K (kcal/mol): -1868.7123893651
Atomization free energy at 298.15 K (kcal/mol): -1711.1053463981