Geometry & MOs

Info

ID:	24001
PubChem CID:	607393
Reduced:	N5H7C10 (1)
Stoich.:	A5B7C10 (1)
Weight, g/mol:	197.070145
ΔH_f, kcal/mol:	128.84
Dipole, Da:	7.62
IP(EA), eV:	-10.13(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations