Geometry & MOs

Info

ID:	375420
PubChem CID:	131529606
Reduced:	BrON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	327.93204
ΔH_f, kcal/mol:	1.3
Dipole, Da:	2.97
IP(EA), eV:	-8.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CNC2=O)Br)N

DOS

IR

Vibrations