Geometry & MOs

Info

ID:	336764
PubChem CID:	127255771
Reduced:	ClIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	309.92575
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	2.65
IP(EA), eV:	-9.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCC(=O)O)Cl)I

DOS

IR

Vibrations