Compound

$E{=}_{HOMO}\left(\text{eV}\right)$

$E{=}_{LUMO}\left(\text{eV}\right)$

$\Delta H=E_{LUMO}-E_{HOMO}$

3,4-dimethyl-3-cyclohexene-1-carbaldehyde

−4.027

−0.109

3.918

5-(3-phenylpropanoyl)dihydro-2-(3H)-furanone

−5.560

−2.167

3.393

4-(2,4-dimethylcyclohexyl)-2-butanone

−4.186

−3.512

0.674

isopropenyl-4-methyl-1,2-cyclohexanediol

−3.451

−1.863

1.588