Geometry & MOs

Info

ID:	374634
PubChem CID:	131342061
Reduced:	NOSC5H5 (1)
Stoich.:	ABCD5E5 (1)
Weight, g/mol:	276.93999
ΔH_f, kcal/mol:	3.56
Dipole, Da:	2.94
IP(EA), eV:	-9.58(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)C(S1)CC#N

DOS

IR

Vibrations