Geometry & MOs

Info

ID:	261167
PubChem CID:	103220919
Reduced:	INOCl3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	414.9836
ΔH_f, kcal/mol:	-3.8
Dipole, Da:	2.19
IP(EA), eV:	-9.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-[2-(4-methoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)I)Cl)Cl

DOS

IR

Vibrations