Geometry & MOs

Info

ID:	29739
PubChem CID:	836834
Reduced:	FNO3H14C20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	333.95085
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	5.75
IP(EA), eV:	-8.7(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-chloro-2-cyanophenyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations