Geometry & MOs

Info

ID:	272884
PubChem CID:	103763609
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	347.9665
ΔH_f, kcal/mol:	-94.54
Dipole, Da:	3.93
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=O)NC=C2)Cl

DOS

IR

Vibrations