Molecule SMILES: CC(C)[NH2+]CC([O-])=O
Rotational constants A, B, C (GHz): 3.83998, 1.10891, 0.96267
Dipole moment mu (Debye): 5.3854
Isotropic polarizability alpha (Bohr^3): 68.12
HOMO energy (Hartree): -0.2445
LUMO energy (Hartree): 0.0225
HOMO-LUMO gap (Hartree): 0.2671
Electronic spatial extent r2 (Bohr^2): 1247.9358
Zero-point vibrational energy (Hartree): 0.164516
Internal energy at 0 K (Hartree): -402.236508
Internal energy at 298.15 K (Hartree): -402.227325
Enthalpy at 298.15 K (Hartree): -402.226381
Free energy at 298.15 K (Hartree): -402.271136
Heat capacity at 298.15 K (cal/mol K): 33.006
Atomization energy at 0 K (kcal/mol): -1748.6328946341
Atomization energy at 298.15 K (kcal/mol): -1759.7561191681
Atomization enthalpy at 298.15 K (kcal/mol): -1770.425654695
Atomization free energy at 298.15 K (kcal/mol): -1622.984885037