Molecule SMILES: CC1(C)CN2CC12
Rotational constants A, B, C (GHz): 4.38412, 2.44968, 2.16614
Dipole moment mu (Debye): 1.647
Isotropic polarizability alpha (Bohr^3): 66.82
HOMO energy (Hartree): -0.229
LUMO energy (Hartree): 0.0814
HOMO-LUMO gap (Hartree): 0.3104
Electronic spatial extent r2 (Bohr^2): 711.3698
Zero-point vibrational energy (Hartree): 0.160172
Internal energy at 0 K (Hartree): -289.799552
Internal energy at 298.15 K (Hartree): -289.792565
Enthalpy at 298.15 K (Hartree): -289.791621
Free energy at 298.15 K (Hartree): -289.829761
Heat capacity at 298.15 K (cal/mol K): 27.458
Atomization energy at 0 K (kcal/mol): -1651.638828504
Atomization energy at 298.15 K (kcal/mol): -1663.2521375671
Atomization enthalpy at 298.15 K (kcal/mol): -1673.329304598
Atomization free energy at 298.15 K (kcal/mol): -1532.8570223851