Geometry & MOs

Info

ID:	372006
PubChem CID:	131285924
Reduced:	FINOH5C8 (1)
Stoich.:	ABCDE5F8 (1)
Weight, g/mol:	276.93999
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	4.21
IP(EA), eV:	-9.49(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-iodo-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)I)C#N

DOS

IR

Vibrations