Geometry & MOs

Info

ID:	411383
PubChem CID:	135084206
Reduced:	BrFOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	320.96506
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	5.07
IP(EA), eV:	-10.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-2-phenoxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCC(F)Br

DOS

IR

Vibrations