Geometry & MOs

Info

ID:	373555
PubChem CID:	131317015
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	343.92696
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	2.73
IP(EA), eV:	-9.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2=C(CN1)C(=CC=C2)Cl

DOS

IR

Vibrations