Geometry & MOs

Info

ID:	387736
PubChem CID:	134986645
Reduced:	IF2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-210.24
Dipole, Da:	3.48
IP(EA), eV:	-9.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-5-oxocyclooctane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(=O)C(CC(CC(=O)C)I)(F)F

DOS

IR

Vibrations