Molecule SMILES: CCC(C(C)[NH3+])C([O-])=O
Rotational constants A, B, C (GHz): 1.89096, 1.36404, 0.90612
Dipole moment mu (Debye): 14.078
Isotropic polarizability alpha (Bohr^3): 82.62
HOMO energy (Hartree): -0.169
LUMO energy (Hartree): -0.0239
HOMO-LUMO gap (Hartree): 0.1451
Electronic spatial extent r2 (Bohr^2): 1366.8531
Zero-point vibrational energy (Hartree): 0.192323
Internal energy at 0 K (Hartree): -441.458802
Internal energy at 298.15 K (Hartree): -441.447882
Enthalpy at 298.15 K (Hartree): -441.446938
Free energy at 298.15 K (Hartree): -441.495209
Heat capacity at 298.15 K (cal/mol K): 39.317
Atomization energy at 0 K (kcal/mol): -1983.9337094181
Atomization energy at 298.15 K (kcal/mol): -1996.6332365601
Atomization enthalpy at 298.15 K (kcal/mol): -2009.081132593
Atomization free energy at 298.15 K (kcal/mol): -1836.903958155