Geometry & MOs

Info

ID:	375421
PubChem CID:	131529610
Reduced:	ION2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	327.93204
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	3.14
IP(EA), eV:	-10.14(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1C#N)OC(F)(F)F)I

DOS

IR

Vibrations