Molecule SMILES: C[NH+](C)CC(O)C([O-])=O
Rotational constants A, B, C (GHz): 2.6079, 1.15141, 1.07636
Dipole moment mu (Debye): 10.4332
Isotropic polarizability alpha (Bohr^3): 70.78
HOMO energy (Hartree): -0.196
LUMO energy (Hartree): 0.0232
HOMO-LUMO gap (Hartree): 0.2192
Electronic spatial extent r2 (Bohr^2): 1237.4955
Zero-point vibrational energy (Hartree): 0.170864
Internal energy at 0 K (Hartree): -477.412763
Internal energy at 298.15 K (Hartree): -477.403326
Enthalpy at 298.15 K (Hartree): -477.402382
Free energy at 298.15 K (Hartree): -477.447288
Heat capacity at 298.15 K (cal/mol K): 34.484
Atomization energy at 0 K (kcal/mol): -1818.7105897181
Atomization energy at 298.15 K (kcal/mol): -1830.56297971
Atomization enthalpy at 298.15 K (kcal/mol): -1841.8248837331
Atomization free energy at 298.15 K (kcal/mol): -1683.614804617