Molecule SMILES: CC(C([O-])=O)C(C)(C)[NH3+]
Rotational constants A, B, C (GHz): 2.27305, 1.27165, 1.14148
Dipole moment mu (Debye): 6.1774
Isotropic polarizability alpha (Bohr^3): 77.82
HOMO energy (Hartree): -0.2427
LUMO energy (Hartree): 0.0338
HOMO-LUMO gap (Hartree): 0.2765
Electronic spatial extent r2 (Bohr^2): 1231.2107
Zero-point vibrational energy (Hartree): 0.192843
Internal energy at 0 K (Hartree): -441.534381
Internal energy at 298.15 K (Hartree): -441.524086
Enthalpy at 298.15 K (Hartree): -441.523142
Free energy at 298.15 K (Hartree): -441.568911
Heat capacity at 298.15 K (cal/mol K): 39.144
Atomization energy at 0 K (kcal/mol): -2031.3602121291
Atomization energy at 298.15 K (kcal/mol): -2044.4519323961
Atomization enthalpy at 298.15 K (kcal/mol): -2056.899828429
Atomization free energy at 298.15 K (kcal/mol): -1883.1526264731