Molecule SMILES: CC1N2CC2(C)C1(C)C
Rotational constants A, B, C (GHz): 2.04037, 1.69337, 1.28006
Dipole moment mu (Debye): 1.5949
Isotropic polarizability alpha (Bohr^3): 88.49
HOMO energy (Hartree): -0.221
LUMO energy (Hartree): 0.0767
HOMO-LUMO gap (Hartree): 0.2977
Electronic spatial extent r2 (Bohr^2): 1169.5453
Zero-point vibrational energy (Hartree): 0.215558
Internal energy at 0 K (Hartree): -368.386185
Internal energy at 298.15 K (Hartree): -368.3761
Enthalpy at 298.15 K (Hartree): -368.375156
Free energy at 298.15 K (Hartree): -368.419898
Heat capacity at 298.15 K (cal/mol K): 39.399
Atomization energy at 0 K (kcal/mol): -2211.374973977
Atomization energy at 298.15 K (kcal/mol): -2226.3768316401
Atomization enthalpy at 298.15 K (kcal/mol): -2240.010719683
Atomization free energy at 298.15 K (kcal/mol): -2049.79579904