Molecule SMILES: CC1N(C)C1(C)C1CC1
Rotational constants A, B, C (GHz): 2.51473, 1.16721, 1.15121
Dipole moment mu (Debye): 1.3229
Isotropic polarizability alpha (Bohr^3): 89.89
HOMO energy (Hartree): -0.2123
LUMO energy (Hartree): 0.0817
HOMO-LUMO gap (Hartree): 0.2939
Electronic spatial extent r2 (Bohr^2): 1298.9833
Zero-point vibrational energy (Hartree): 0.215499
Internal energy at 0 K (Hartree): -368.375691
Internal energy at 298.15 K (Hartree): -368.365211
Enthalpy at 298.15 K (Hartree): -368.364267
Free energy at 298.15 K (Hartree): -368.410682
Heat capacity at 298.15 K (cal/mol K): 39.316
Atomization energy at 0 K (kcal/mol): -2204.789894531
Atomization energy at 298.15 K (kcal/mol): -2219.543886139
Atomization enthalpy at 298.15 K (kcal/mol): -2233.177774182
Atomization free energy at 298.15 K (kcal/mol): -2044.012676096