Molecule SMILES: CN(C)C(=O)N1CCC1
Rotational constants A, B, C (GHz): 3.13031, 1.17888, 0.92484
Dipole moment mu (Debye): 3.3454
Isotropic polarizability alpha (Bohr^3): 81.5
HOMO energy (Hartree): -0.2264
LUMO energy (Hartree): 0.0538
HOMO-LUMO gap (Hartree): 0.2802
Electronic spatial extent r2 (Bohr^2): 1325.5865
Zero-point vibrational energy (Hartree): 0.182656
Internal energy at 0 K (Hartree): -420.421086
Internal energy at 298.15 K (Hartree): -420.411115
Enthalpy at 298.15 K (Hartree): -420.410171
Free energy at 298.15 K (Hartree): -420.456473
Heat capacity at 298.15 K (cal/mol K): 35.011
Atomization energy at 0 K (kcal/mol): -1948.338261393
Atomization energy at 298.15 K (kcal/mol): -1960.744741832
Atomization enthalpy at 298.15 K (kcal/mol): -1972.59964186
Atomization free energy at 298.15 K (kcal/mol): -1807.301848589