Geometry & MOs

Info

ID:	265741
PubChem CID:	103543606
Reduced:	FO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-155.79
Dipole, Da:	3.21
IP(EA), eV:	-9.83(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylcyclohexyl)-2-(1,3-dioxolan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1COC(O1)CC(=O)CC2=CC(=CC=C2)F

DOS

IR

Vibrations