Geometry & MOs

Info

ID:	374413
PubChem CID:	131328744
Reduced:	INO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	235.96976
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	5.44
IP(EA), eV:	-9.62(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-[1,2,4]triazolo[4,3-a]pyridin-5-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C#N)I)CC(=O)OC

DOS

IR

Vibrations