Geometry & MOs

Info

ID:	375423
PubChem CID:	131529618
Reduced:	ION2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	327.93204
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	2.63
IP(EA), eV:	-10.01(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations