Geometry & MOs

Info

ID:	372005
PubChem CID:	131285820
Reduced:	BrINOH5C6 (1)
Stoich.:	ABCDE5F6 (1)
Weight, g/mol:	276.93999
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	2.33
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-iodo-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)Br)N)I

DOS

IR

Vibrations