Geometry & MOs

Info

ID:	407782
PubChem CID:	135080537
Reduced:	FO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	2.51
IP(EA), eV:	-9.13(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2-oxo-6-propan-2-ylcyclohexyl) acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(CCO)F

DOS

IR

Vibrations