Molecule SMILES: CC1COC1C
Rotational constants A, B, C (GHz): 4.43292, 3.8862, 2.44563
Dipole moment mu (Debye): 1.7671
Isotropic polarizability alpha (Bohr^3): 56.23
HOMO energy (Hartree): -0.2398
LUMO energy (Hartree): 0.085
HOMO-LUMO gap (Hartree): 0.3248
Electronic spatial extent r2 (Bohr^2): 585.5983
Zero-point vibrational energy (Hartree): 0.142555
Internal energy at 0 K (Hartree): -271.620997
Internal energy at 298.15 K (Hartree): -271.61422
Enthalpy at 298.15 K (Hartree): -271.613276
Free energy at 298.15 K (Hartree): -271.651656
Heat capacity at 298.15 K (cal/mol K): 24.15
Atomization energy at 0 K (kcal/mol): -1455.712948452
Atomization energy at 298.15 K (kcal/mol): -1465.680301408
Atomization enthalpy at 298.15 K (kcal/mol): -1474.572103938
Atomization free energy at 298.15 K (kcal/mol): -1353.078203921