Geometry & MOs

Info

ID:	375422
PubChem CID:	131529614
Reduced:	ION2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	327.93204
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	1.43
IP(EA), eV:	-10.48(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-2-methyl-6-(trifluoromethoxy)pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations