Geometry & MOs

Info

ID:	277077
PubChem CID:	103826623
Reduced:	BrClON3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	347.9665
ΔH_f, kcal/mol:	15.14
Dipole, Da:	4.5
IP(EA), eV:	-8.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(4-cyanophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations