Geometry & MOs

Info

ID:	336756
PubChem CID:	127255763
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	401.86137
ΔH_f, kcal/mol:	-10.88
Dipole, Da:	3.18
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-diiodophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(=O)CC2)I

DOS

IR

Vibrations