Geometry & MOs

Info

ID:	276077
PubChem CID:	103820411
Reduced:	BrFN2O2H8C14 (1)
Stoich.:	ABC2D2E8F14 (1)
Weight, g/mol:	379.98219
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	4.0
IP(EA), eV:	-9.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-fluorophenyl)-2-iodo-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)F)NC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations