Molecule SMILES: CN1CC1(C)C(C)(C)C
Rotational constants A, B, C (GHz): 2.33349, 1.24833, 1.16956
Dipole moment mu (Debye): 1.0621
Isotropic polarizability alpha (Bohr^3): 92.52
HOMO energy (Hartree): -0.2197
LUMO energy (Hartree): 0.0784
HOMO-LUMO gap (Hartree): 0.298
Electronic spatial extent r2 (Bohr^2): 1303.588
Zero-point vibrational energy (Hartree): 0.237648
Internal energy at 0 K (Hartree): -369.594217
Internal energy at 298.15 K (Hartree): -369.583066
Enthalpy at 298.15 K (Hartree): -369.582121
Free energy at 298.15 K (Hartree): -369.629431
Heat capacity at 298.15 K (cal/mol K): 43.034
Atomization energy at 0 K (kcal/mol): -2341.574306351
Atomization energy at 298.15 K (kcal/mol): -2357.684344908
Atomization enthalpy at 298.15 K (kcal/mol): -2372.503597452
Atomization free energy at 298.15 K (kcal/mol): -2167.566060651