Molecule SMILES: CC(C)([NH3+])C(O)C([O-])=O
Rotational constants A, B, C (GHz): 2.38657, 1.28894, 1.1467
Dipole moment mu (Debye): 4.9425
Isotropic polarizability alpha (Bohr^3): 71.1
HOMO energy (Hartree): -0.2476
LUMO energy (Hartree): 0.0152
HOMO-LUMO gap (Hartree): 0.2628
Electronic spatial extent r2 (Bohr^2): 1184.1041
Zero-point vibrational energy (Hartree): 0.169332
Internal energy at 0 K (Hartree): -477.461665
Internal energy at 298.15 K (Hartree): -477.451673
Enthalpy at 298.15 K (Hartree): -477.450728
Free energy at 298.15 K (Hartree): -477.496116
Heat capacity at 298.15 K (cal/mol K): 37.648
Atomization energy at 0 K (kcal/mol): -1849.3970348361
Atomization energy at 298.15 K (kcal/mol): -1860.9011573331
Atomization enthalpy at 298.15 K (kcal/mol): -1872.1624338471
Atomization free energy at 298.15 K (kcal/mol): -1714.254814069