Geometry & MOs

Info

ID:	279280
PubChem CID:	103842808
Reduced:	BrClON2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	361.98215
ΔH_f, kcal/mol:	13.26
Dipole, Da:	2.78
IP(EA), eV:	-10.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(2-cyanoethyl)-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCC#N)Br)Cl

DOS

IR

Vibrations