Geometry & MOs

Info

ID:	21153
PubChem CID:	587355
Reduced:	ClIO2H8C13 (1)
Stoich.:	ABC2D8E13 (1)
Weight, g/mol:	357.92575
ΔH_f, kcal/mol:	-20.48
Dipole, Da:	2.25
IP(EA), eV:	-9.3(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodophenyl) 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)I)Cl

DOS

IR

Vibrations