Geometry & MOs

Info

ID:	24002
PubChem CID:	607398
Reduced:	N5C13H13 (1)
Stoich.:	A5B13C13 (1)
Weight, g/mol:	239.117095
ΔH_f, kcal/mol:	113.04
Dipole, Da:	7.13
IP(EA), eV:	-10.07(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethyl)-7-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC1=C(C2=NC(=NN2C=C1)CC#N)C#N

DOS

IR

Vibrations