Geometry & MOs

Info

ID:	312784
PubChem CID:	126608640
Reduced:	IO2C21H37 (1)
Stoich.:	AB2C21D37 (1)
Weight, g/mol:	586.496111
ΔH_f, kcal/mol:	-158.56
Dipole, Da:	2.95
IP(EA), eV:	-9.53(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[2-(7-carboxyheptyl)-5,6-dihexylcyclohex-3-en-1-yl]dodeca-9,11-dienoic acid

Drug info:

PubChemData

Smile

CCCC(CCCC1CCC(CC1)C(=O)OC2CCC(CC2)C)I

DOS

IR

Vibrations