Molecule SMILES: CC1C(C)C2OCOC12
Rotational constants A, B, C (GHz): 2.22087, 1.79699, 1.38299
Dipole moment mu (Debye): 1.3171
Isotropic polarizability alpha (Bohr^3): 76.59
HOMO energy (Hartree): -0.248
LUMO energy (Hartree): 0.0638
HOMO-LUMO gap (Hartree): 0.3118
Electronic spatial extent r2 (Bohr^2): 1048.815
Zero-point vibrational energy (Hartree): 0.183489
Internal energy at 0 K (Hartree): -424.219719
Internal energy at 298.15 K (Hartree): -424.211154
Enthalpy at 298.15 K (Hartree): -424.210209
Free energy at 298.15 K (Hartree): -424.252728
Heat capacity at 298.15 K (cal/mol K): 32.735
Atomization energy at 0 K (kcal/mol): -1982.8537664291
Atomization energy at 298.15 K (kcal/mol): -1996.1431520311
Atomization enthalpy at 298.15 K (kcal/mol): -2007.9974245501
Atomization free energy at 298.15 K (kcal/mol): -1840.685327389