Molecule SMILES: CC1CNC(C)C(=O)N1
Rotational constants A, B, C (GHz): 2.40918, 1.40708, 1.03248
Dipole moment mu (Debye): 3.7258
Isotropic polarizability alpha (Bohr^3): 79.45
HOMO energy (Hartree): -0.2132
LUMO energy (Hartree): 0.0323
HOMO-LUMO gap (Hartree): 0.2455
Electronic spatial extent r2 (Bohr^2): 1235.0215
Zero-point vibrational energy (Hartree): 0.184531
Internal energy at 0 K (Hartree): -420.450917
Internal energy at 298.15 K (Hartree): -420.441779
Enthalpy at 298.15 K (Hartree): -420.440835
Free energy at 298.15 K (Hartree): -420.484743
Heat capacity at 298.15 K (cal/mol K): 34.896
Atomization energy at 0 K (kcal/mol): -1967.0574823721
Atomization energy at 298.15 K (kcal/mol): -1979.9866778081
Atomization enthalpy at 298.15 K (kcal/mol): -1991.841577836
Atomization free energy at 298.15 K (kcal/mol): -1825.041528019