Molecule SMILES: CC(C)N1CC2(C1)CO2
Rotational constants A, B, C (GHz): 4.10518, 0.91045, 0.81232
Dipole moment mu (Debye): 2.2693
Isotropic polarizability alpha (Bohr^3): 84.33
HOMO energy (Hartree): -0.2151
LUMO energy (Hartree): 0.0779
HOMO-LUMO gap (Hartree): 0.293
Electronic spatial extent r2 (Bohr^2): 1488.0991
Zero-point vibrational energy (Hartree): 0.192332
Internal energy at 0 K (Hartree): -404.303477
Internal energy at 298.15 K (Hartree): -404.294002
Enthalpy at 298.15 K (Hartree): -404.293058
Free energy at 298.15 K (Hartree): -404.337683
Heat capacity at 298.15 K (cal/mol K): 35.898
Atomization energy at 0 K (kcal/mol): -2023.141726756
Atomization energy at 298.15 K (kcal/mol): -2036.748631912
Atomization enthalpy at 298.15 K (kcal/mol): -2049.196527945
Atomization free energy at 298.15 K (kcal/mol): -1874.9868518561