Geometry & MOs

Info

ID:	268609
PubChem CID:	103600196
Reduced:	BrINOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	496.84458
ΔH_f, kcal/mol:	5.72
Dipole, Da:	3.95
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations