Geometry & MOs

Info

ID:	268585
PubChem CID:	103600086
Reduced:	BrINOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	496.84458
ΔH_f, kcal/mol:	7.52
Dipole, Da:	4.19
IP(EA), eV:	-8.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations