Molecule SMILES: CC1(C)N2CC11CCC21
Rotational constants A, B, C (GHz): 2.52478, 1.74971, 1.47252
Dipole moment mu (Debye): 1.8173
Isotropic polarizability alpha (Bohr^3): 87.33
HOMO energy (Hartree): -0.2036
LUMO energy (Hartree): 0.0532
HOMO-LUMO gap (Hartree): 0.2569
Electronic spatial extent r2 (Bohr^2): 1034.7758
Zero-point vibrational energy (Hartree): 0.194198
Internal energy at 0 K (Hartree): -367.053399
Internal energy at 298.15 K (Hartree): -367.045214
Enthalpy at 298.15 K (Hartree): -367.04427
Free energy at 298.15 K (Hartree): -367.085186
Heat capacity at 298.15 K (cal/mol K): 34.29
Atomization energy at 0 K (kcal/mol): -2002.891383817
Atomization energy at 298.15 K (kcal/mol): -2017.308403092
Atomization enthalpy at 298.15 K (kcal/mol): -2029.756299125
Atomization free energy at 298.15 K (kcal/mol): -1853.474588318