Molecule SMILES: CCOC1C2COC12
Rotational constants A, B, C (GHz): 3.81725, 1.6449, 1.41437
Dipole moment mu (Debye): 1.3962
Isotropic polarizability alpha (Bohr^3): 67.86
HOMO energy (Hartree): -0.2268
LUMO energy (Hartree): 0.0697
HOMO-LUMO gap (Hartree): 0.2965
Electronic spatial extent r2 (Bohr^2): 946.6994
Zero-point vibrational energy (Hartree): 0.153052
Internal energy at 0 K (Hartree): -384.878059
Internal energy at 298.15 K (Hartree): -384.870131
Enthalpy at 298.15 K (Hartree): -384.869187
Free energy at 298.15 K (Hartree): -384.911695
Heat capacity at 298.15 K (cal/mol K): 28.888
Atomization energy at 0 K (kcal/mol): -1672.6497123511
Atomization energy at 298.15 K (kcal/mol): -1683.672535445
Atomization enthalpy at 298.15 K (kcal/mol): -1693.749074967
Atomization free energy at 298.15 K (kcal/mol): -1553.372801631