Geometry & MOs

Info

ID:	374636
PubChem CID:	131342063
Reduced:	FINOH5C8 (1)
Stoich.:	ABCDE5F8 (1)
Weight, g/mol:	276.93999
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	3.08
IP(EA), eV:	-10.03(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations