Geometry & MOs

Info

ID:	23365
PubChem CID:	603212
Reduced:	BrINOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	414.90687
ΔH_f, kcal/mol:	16.67
Dipole, Da:	4.06
IP(EA), eV:	-8.93(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-iodo-3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations