Molecule SMILES: CC1N(C)C(=O)C11CO1
Rotational constants A, B, C (GHz): 2.26728, 1.61475, 1.06708
Dipole moment mu (Debye): 4.3063
Isotropic polarizability alpha (Bohr^3): 74.76
HOMO energy (Hartree): -0.2448
LUMO energy (Hartree): 0.0137
HOMO-LUMO gap (Hartree): 0.2584
Electronic spatial extent r2 (Bohr^2): 1154.0332
Zero-point vibrational energy (Hartree): 0.146001
Internal energy at 0 K (Hartree): -439.083833
Internal energy at 298.15 K (Hartree): -439.074613
Enthalpy at 298.15 K (Hartree): -439.073669
Free energy at 298.15 K (Hartree): -439.117913
Heat capacity at 298.15 K (cal/mol K): 32.925
Atomization energy at 0 K (kcal/mol): -1749.3225270251
Atomization energy at 298.15 K (kcal/mol): -1759.534608491
Atomization enthalpy at 298.15 K (kcal/mol): -1769.610520504
Atomization free energy at 298.15 K (kcal/mol): -1627.574485863