Geometry & MOs

Info

ID:	375424
PubChem CID:	131529622
Reduced:	ION2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	327.93204
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	4.13
IP(EA), eV:	-10.21(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)I)OC(F)(F)F)C#N

DOS

IR

Vibrations