Molecule SMILES: CC(C)N1CC(=O)C1
Rotational constants A, B, C (GHz): 4.79752, 1.23129, 1.02519
Dipole moment mu (Debye): 2.7158
Isotropic polarizability alpha (Bohr^3): 73.21
HOMO energy (Hartree): -0.2294
LUMO energy (Hartree): -0.0221
HOMO-LUMO gap (Hartree): 0.2073
Electronic spatial extent r2 (Bohr^2): 1153.621
Zero-point vibrational energy (Hartree): 0.163382
Internal energy at 0 K (Hartree): -365.058984
Internal energy at 298.15 K (Hartree): -365.050403
Enthalpy at 298.15 K (Hartree): -365.049459
Free energy at 298.15 K (Hartree): -365.091941
Heat capacity at 298.15 K (cal/mol K): 31.861
Atomization energy at 0 K (kcal/mol): -1773.910839681
Atomization energy at 298.15 K (kcal/mol): -1785.4124521421
Atomization enthalpy at 298.15 K (kcal/mol): -1796.081987669
Atomization free energy at 298.15 K (kcal/mol): -1647.470286217