Molecule SMILES: CC(C)(C)N1CC(=O)C1
Rotational constants A, B, C (GHz): 3.24973, 1.02043, 0.95274
Dipole moment mu (Debye): 2.8395
Isotropic polarizability alpha (Bohr^3): 83.08
HOMO energy (Hartree): -0.2215
LUMO energy (Hartree): -0.0207
HOMO-LUMO gap (Hartree): 0.2008
Electronic spatial extent r2 (Bohr^2): 1349.6531
Zero-point vibrational energy (Hartree): 0.190718
Internal energy at 0 K (Hartree): -404.34659
Internal energy at 298.15 K (Hartree): -404.336556
Enthalpy at 298.15 K (Hartree): -404.335612
Free energy at 298.15 K (Hartree): -404.381129
Heat capacity at 298.15 K (cal/mol K): 38.068
Atomization energy at 0 K (kcal/mol): -2050.195522273
Atomization energy at 298.15 K (kcal/mol): -2063.451649898
Atomization enthalpy at 298.15 K (kcal/mol): -2075.899545931
Atomization free energy at 298.15 K (kcal/mol): -1902.24960787