Molecule SMILES: CC1CN(C)CC(=O)N1
Rotational constants A, B, C (GHz): 1.84707, 1.68399, 0.92617
Dipole moment mu (Debye): 3.9491
Isotropic polarizability alpha (Bohr^3): 80.9
HOMO energy (Hartree): -0.2216
LUMO energy (Hartree): 0.0338
HOMO-LUMO gap (Hartree): 0.2553
Electronic spatial extent r2 (Bohr^2): 1296.6041
Zero-point vibrational energy (Hartree): 0.183757
Internal energy at 0 K (Hartree): -420.446252
Internal energy at 298.15 K (Hartree): -420.43716
Enthalpy at 298.15 K (Hartree): -420.436216
Free energy at 298.15 K (Hartree): -420.479887
Heat capacity at 298.15 K (cal/mol K): 34.559
Atomization energy at 0 K (kcal/mol): -1964.1301528871
Atomization energy at 298.15 K (kcal/mol): -1977.0882137371
Atomization enthalpy at 298.15 K (kcal/mol): -1988.943113765
Atomization free energy at 298.15 K (kcal/mol): -1821.9943443151