Geometry & MOs

Info

ID:	327323
PubChem CID:	126689536
Reduced:	ON4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	199.074562
ΔH_f, kcal/mol:	19.53
Dipole, Da:	3.0
IP(EA), eV:	-8.53(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclopropylethynyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC2=NNC(=O)N2C(=C1)N

DOS

IR

Vibrations