Molecule SMILES: CC1N(C)C(=O)C1(C)C
Rotational constants A, B, C (GHz): 1.93478, 1.61209, 1.14126
Dipole moment mu (Debye): 3.5855
Isotropic polarizability alpha (Bohr^3): 84.06
HOMO energy (Hartree): -0.2349
LUMO energy (Hartree): 0.0425
HOMO-LUMO gap (Hartree): 0.2775
Electronic spatial extent r2 (Bohr^2): 1220.1281
Zero-point vibrational energy (Hartree): 0.191884
Internal energy at 0 K (Hartree): -404.390227
Internal energy at 298.15 K (Hartree): -404.379549
Enthalpy at 298.15 K (Hartree): -404.378605
Free energy at 298.15 K (Hartree): -404.425496
Heat capacity at 298.15 K (cal/mol K): 38.496
Atomization energy at 0 K (kcal/mol): -2077.578132506
Atomization energy at 298.15 K (kcal/mol): -2090.430144335
Atomization enthalpy at 298.15 K (kcal/mol): -2102.878040368
Atomization free energy at 298.15 K (kcal/mol): -1930.090299673