Molecule SMILES: CCOC1C2OCOC12
Rotational constants A, B, C (GHz): 3.14601, 1.16275, 1.09406
Dipole moment mu (Debye): 1.6547
Isotropic polarizability alpha (Bohr^3): 71.42
HOMO energy (Hartree): -0.2222
LUMO energy (Hartree): 0.0732
HOMO-LUMO gap (Hartree): 0.2954
Electronic spatial extent r2 (Bohr^2): 1211.1001
Zero-point vibrational energy (Hartree): 0.158553
Internal energy at 0 K (Hartree): -460.11841
Internal energy at 298.15 K (Hartree): -460.109703
Enthalpy at 298.15 K (Hartree): -460.108758
Free energy at 298.15 K (Hartree): -460.152627
Heat capacity at 298.15 K (cal/mol K): 31.463
Atomization energy at 0 K (kcal/mol): -1782.9482242991
Atomization energy at 298.15 K (kcal/mol): -1794.3707706261
Atomization enthalpy at 298.15 K (kcal/mol): -1805.0390511351
Atomization free energy at 298.15 K (kcal/mol): -1654.652754231