Geometry & MOs

Info

ID:	4290
PubChem CID:	11127
Reduced:	I3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	557.7686
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	4.33
IP(EA), eV:	-9.72(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,6-triiodophenoxy)butanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)OC1=C(C=C(C=C1I)I)I

DOS

IR

Vibrations