Molecule SMILES: CC1(C)CCN2CC12
Rotational constants A, B, C (GHz): 3.12214, 1.95181, 1.71506
Dipole moment mu (Debye): 1.5086
Isotropic polarizability alpha (Bohr^3): 76.86
HOMO energy (Hartree): -0.2261
LUMO energy (Hartree): 0.0786
HOMO-LUMO gap (Hartree): 0.3047
Electronic spatial extent r2 (Bohr^2): 900.9191
Zero-point vibrational energy (Hartree): 0.189789
Internal energy at 0 K (Hartree): -329.11961
Internal energy at 298.15 K (Hartree): -329.111764
Enthalpy at 298.15 K (Hartree): -329.110819
Free energy at 298.15 K (Hartree): -329.150958
Heat capacity at 298.15 K (cal/mol K): 31.593
Atomization energy at 0 K (kcal/mol): -1948.2874331641
Atomization energy at 298.15 K (kcal/mol): -1962.0279977371
Atomization enthalpy at 298.15 K (kcal/mol): -1973.882897765
Atomization free energy at 298.15 K (kcal/mol): -1807.7222796191