Molecule SMILES: CC1N2CC3(CC3)C12C
Rotational constants A, B, C (GHz): 2.26208, 1.60073, 1.32857
Dipole moment mu (Debye): 1.6393
Isotropic polarizability alpha (Bohr^3): 86.25
HOMO energy (Hartree): -0.2162
LUMO energy (Hartree): 0.0827
HOMO-LUMO gap (Hartree): 0.2989
Electronic spatial extent r2 (Bohr^2): 1120.8773
Zero-point vibrational energy (Hartree): 0.193424
Internal energy at 0 K (Hartree): -367.160844
Internal energy at 298.15 K (Hartree): -367.15175
Enthalpy at 298.15 K (Hartree): -367.150806
Free energy at 298.15 K (Hartree): -367.193938
Heat capacity at 298.15 K (cal/mol K): 35.632
Atomization energy at 0 K (kcal/mol): -2070.314088322
Atomization energy at 298.15 K (kcal/mol): -2084.160701916
Atomization enthalpy at 298.15 K (kcal/mol): -2096.608597949
Atomization free energy at 298.15 K (kcal/mol): -1921.717447086