Molecule SMILES: CC1OCOC(C)C1C
Rotational constants A, B, C (GHz): 2.38878, 1.47056, 1.08859
Dipole moment mu (Debye): 1.6728
Isotropic polarizability alpha (Bohr^3): 81.6
HOMO energy (Hartree): -0.2541
LUMO energy (Hartree): 0.0827
HOMO-LUMO gap (Hartree): 0.3368
Electronic spatial extent r2 (Bohr^2): 1224.8969
Zero-point vibrational energy (Hartree): 0.205751
Internal energy at 0 K (Hartree): -425.445678
Internal energy at 298.15 K (Hartree): -425.436213
Enthalpy at 298.15 K (Hartree): -425.435269
Free energy at 298.15 K (Hartree): -425.479196
Heat capacity at 298.15 K (cal/mol K): 36.574
Atomization energy at 0 K (kcal/mol): -2124.302452646
Atomization energy at 298.15 K (kcal/mol): -2138.8041856361
Atomization enthalpy at 298.15 K (kcal/mol): -2151.845077674
Atomization free energy at 298.15 K (kcal/mol): -1969.0824539151