Geometry & MOs

Info

ID:	336763
PubChem CID:	127255770
Reduced:	ClIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	309.92575
ΔH_f, kcal/mol:	-65.57
Dipole, Da:	4.43
IP(EA), eV:	-9.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)CCC(=O)O)Cl

DOS

IR

Vibrations