Molecule SMILES: CC(C)N1CC(=O)C1C
Rotational constants A, B, C (GHz): 2.7394, 1.15431, 0.8734
Dipole moment mu (Debye): 2.645
Isotropic polarizability alpha (Bohr^3): 84.16
HOMO energy (Hartree): -0.2283
LUMO energy (Hartree): -0.0207
HOMO-LUMO gap (Hartree): 0.2076
Electronic spatial extent r2 (Bohr^2): 1383.9979
Zero-point vibrational energy (Hartree): 0.191291
Internal energy at 0 K (Hartree): -404.353156
Internal energy at 298.15 K (Hartree): -404.343015
Enthalpy at 298.15 K (Hartree): -404.342071
Free energy at 298.15 K (Hartree): -404.388053
Heat capacity at 298.15 K (cal/mol K): 37.568
Atomization energy at 0 K (kcal/mol): -2054.3157463671
Atomization energy at 298.15 K (kcal/mol): -2067.504730529
Atomization enthalpy at 298.15 K (kcal/mol): -2079.952626562
Atomization free energy at 298.15 K (kcal/mol): -1906.594480186