Geometry & MOs

Info

ID:	279254
PubChem CID:	103842303
Reduced:	ClNOBr2F2H6C13 (1)
Stoich.:	ABCD2E2F6G13 (1)
Weight, g/mol:	347.9665
ΔH_f, kcal/mol:	-77.86
Dipole, Da:	3.21
IP(EA), eV:	-9.54(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C=C2F)Br)F)Br)Cl

DOS

IR

Vibrations