Geometry & MOs

Info

ID:	374905
PubChem CID:	131349724
Reduced:	IOF2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	219.030726
ΔH_f, kcal/mol:	-98.9
Dipole, Da:	2.02
IP(EA), eV:	-9.85(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-3-hydroxy-2-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)F)I)CO

DOS

IR

Vibrations