Geometry & MOs

Info

ID:	374041
PubChem CID:	131322891
Reduced:	N2F3O3H5C8 (1)
Stoich.:	A2B3C3D5E8 (1)
Weight, g/mol:	343.92696
ΔH_f, kcal/mol:	-208.62
Dipole, Da:	7.11
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=NC(=C1)C#N)OC(F)(F)F)O

DOS

IR

Vibrations