Molecule SMILES: CC(C)C1(C)CN2CC12
Rotational constants A, B, C (GHz): 2.54382, 1.28131, 1.18819
Dipole moment mu (Debye): 1.6837
Isotropic polarizability alpha (Bohr^3): 87.76
HOMO energy (Hartree): -0.2276
LUMO energy (Hartree): 0.0727
HOMO-LUMO gap (Hartree): 0.3004
Electronic spatial extent r2 (Bohr^2): 1232.3951
Zero-point vibrational energy (Hartree): 0.216716
Internal energy at 0 K (Hartree): -368.374078
Internal energy at 298.15 K (Hartree): -368.364414
Enthalpy at 298.15 K (Hartree): -368.36347
Free energy at 298.15 K (Hartree): -368.40794
Heat capacity at 298.15 K (cal/mol K): 37.883
Atomization energy at 0 K (kcal/mol): -2203.7777225141
Atomization energy at 298.15 K (kcal/mol): -2219.0437614661
Atomization enthalpy at 298.15 K (kcal/mol): -2232.677649509
Atomization free energy at 298.15 K (kcal/mol): -2042.2920464181