Geometry & MOs

Info

ID:	374638
PubChem CID:	131342066
Reduced:	FINOH5C8 (1)
Stoich.:	ABCDE5F8 (1)
Weight, g/mol:	276.93999
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	2.86
IP(EA), eV:	-9.99(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(hydroxymethyl)-5-iodobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CO)F)I)C#N

DOS

IR

Vibrations