Molecule SMILES: CC1CN(C)C(=O)C1C
Rotational constants A, B, C (GHz): 2.40817, 1.4316, 1.01544
Dipole moment mu (Debye): 3.5554
Isotropic polarizability alpha (Bohr^3): 83.16
HOMO energy (Hartree): -0.2317
LUMO energy (Hartree): 0.0355
HOMO-LUMO gap (Hartree): 0.2672
Electronic spatial extent r2 (Bohr^2): 1259.3094
Zero-point vibrational energy (Hartree): 0.194664
Internal energy at 0 K (Hartree): -404.409278
Internal energy at 298.15 K (Hartree): -404.399533
Enthalpy at 298.15 K (Hartree): -404.398589
Free energy at 298.15 K (Hartree): -404.443566
Heat capacity at 298.15 K (cal/mol K): 36.095
Atomization energy at 0 K (kcal/mol): -2089.532806465
Atomization energy at 298.15 K (kcal/mol): -2102.9702841911
Atomization enthalpy at 298.15 K (kcal/mol): -2115.418180224
Atomization free energy at 298.15 K (kcal/mol): -1941.429387303