Molecule SMILES: CC(C)CN(C)C(=O)C
Rotational constants A, B, C (GHz): 2.68674, 0.97973, 0.8493
Dipole moment mu (Debye): 3.4287
Isotropic polarizability alpha (Bohr^3): 87.13
HOMO energy (Hartree): -0.2318
LUMO energy (Hartree): 0.0349
HOMO-LUMO gap (Hartree): 0.2667
Electronic spatial extent r2 (Bohr^2): 1524.4067
Zero-point vibrational energy (Hartree): 0.214783
Internal energy at 0 K (Hartree): -405.591668
Internal energy at 298.15 K (Hartree): -405.580057
Enthalpy at 298.15 K (Hartree): -405.579112
Free energy at 298.15 K (Hartree): -405.629335
Heat capacity at 298.15 K (cal/mol K): 41.014
Atomization energy at 0 K (kcal/mol): -2203.6415530611
Atomization energy at 298.15 K (kcal/mol): -2217.6852044811
Atomization enthalpy at 298.15 K (kcal/mol): -2231.318465015
Atomization free energy at 298.15 K (kcal/mol): -2044.2875250381