Molecule SMILES: CC(OCC[NH3+])C([O-])=O
Rotational constants A, B, C (GHz): 2.49732, 1.12905, 0.88772
Dipole moment mu (Debye): 5.7442
Isotropic polarizability alpha (Bohr^3): 72.79
HOMO energy (Hartree): -0.2373
LUMO energy (Hartree): 0.0296
HOMO-LUMO gap (Hartree): 0.2669
Electronic spatial extent r2 (Bohr^2): 1363.8937
Zero-point vibrational energy (Hartree): 0.169895
Internal energy at 0 K (Hartree): -477.450719
Internal energy at 298.15 K (Hartree): -477.440712
Enthalpy at 298.15 K (Hartree): -477.439768
Free energy at 298.15 K (Hartree): -477.486049
Heat capacity at 298.15 K (cal/mol K): 36.112
Atomization energy at 0 K (kcal/mol): -1842.5283213221
Atomization energy at 298.15 K (kcal/mol): -1854.0230311841
Atomization enthalpy at 298.15 K (kcal/mol): -1865.284935207
Atomization free energy at 298.15 K (kcal/mol): -1707.937680966