Geometry & MOs

Info

ID:	336782
PubChem CID:	127255789
Reduced:	IO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	291.95964
ΔH_f, kcal/mol:	-102.13
Dipole, Da:	3.98
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-4-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)CCC(=O)O)I

DOS

IR

Vibrations