Geometry & MOs

Info

ID:	407915
PubChem CID:	135080670
Reduced:	F2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	2.1
IP(EA), eV:	-9.57(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyclohexyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CCC/C=C/C(=C(F)F)C1=CC=CC=C1

DOS

IR

Vibrations