Molecule SMILES: CN(C)C(=O)C1CCC1
Rotational constants A, B, C (GHz): 3.18982, 1.06126, 0.87184
Dipole moment mu (Debye): 3.3348
Isotropic polarizability alpha (Bohr^3): 84.93
HOMO energy (Hartree): -0.2335
LUMO energy (Hartree): 0.0315
HOMO-LUMO gap (Hartree): 0.265
Electronic spatial extent r2 (Bohr^2): 1414.4555
Zero-point vibrational energy (Hartree): 0.193754
Internal energy at 0 K (Hartree): -404.367755
Internal energy at 298.15 K (Hartree): -404.357568
Enthalpy at 298.15 K (Hartree): -404.356624
Free energy at 298.15 K (Hartree): -404.403909
Heat capacity at 298.15 K (cal/mol K): 36.106
Atomization energy at 0 K (kcal/mol): -2063.476750258
Atomization energy at 298.15 K (kcal/mol): -2076.636869006
Atomization enthalpy at 298.15 K (kcal/mol): -2089.084765039
Atomization free energy at 298.15 K (kcal/mol): -1916.54426289