Molecule SMILES: CC1CN1CC(C)(C)C
Rotational constants A, B, C (GHz): 2.85333, 0.91901, 0.86324
Dipole moment mu (Debye): 1.1921
Isotropic polarizability alpha (Bohr^3): 93.55
HOMO energy (Hartree): -0.2206
LUMO energy (Hartree): 0.0792
HOMO-LUMO gap (Hartree): 0.2998
Electronic spatial extent r2 (Bohr^2): 1562.5252
Zero-point vibrational energy (Hartree): 0.238
Internal energy at 0 K (Hartree): -369.596508
Internal energy at 298.15 K (Hartree): -369.585429
Enthalpy at 298.15 K (Hartree): -369.584485
Free energy at 298.15 K (Hartree): -369.632259
Heat capacity at 298.15 K (cal/mol K): 42.079
Atomization energy at 0 K (kcal/mol): -2343.01192947
Atomization energy at 298.15 K (kcal/mol): -2359.167148675
Atomization enthalpy at 298.15 K (kcal/mol): -2373.987028728
Atomization free energy at 298.15 K (kcal/mol): -2169.340656103