Geometry & MOs

Info

ID:	276624
PubChem CID:	103824522
Reduced:	BrClNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	333.95085
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	6.58
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-3-cyanobenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations