Molecule SMILES: C1OC2C3C4OCC13C24
Rotational constants A, B, C (GHz): 3.8878, 1.83199, 1.49293
Dipole moment mu (Debye): 0.5223
Isotropic polarizability alpha (Bohr^3): 69.98
HOMO energy (Hartree): -0.2356
LUMO energy (Hartree): 0.095
HOMO-LUMO gap (Hartree): 0.3306
Electronic spatial extent r2 (Bohr^2): 869.7071
Zero-point vibrational energy (Hartree): 0.139373
Internal energy at 0 K (Hartree): -421.770645
Internal energy at 298.15 K (Hartree): -421.764854
Enthalpy at 298.15 K (Hartree): -421.76391
Free energy at 298.15 K (Hartree): -421.800486
Heat capacity at 298.15 K (cal/mol K): 24.929
Atomization energy at 0 K (kcal/mol): -1701.7410295911
Atomization energy at 298.15 K (kcal/mol): -1713.2169141831
Atomization enthalpy at 298.15 K (kcal/mol): -1722.699830191
Atomization free energy at 298.15 K (kcal/mol): -1584.3265655831