Geometry & MOs

Info

ID:	264548
PubChem CID:	103469391
Reduced:	F3N5H6C10 (1)
Stoich.:	A3B5C6D10 (1)
Weight, g/mol:	310.96679
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	4.1
IP(EA), eV:	-9.27(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(4-iodopyrazol-1-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1N)N2C=C(C=N2)C(F)(F)F)C#N

DOS

IR

Vibrations