Geometry & MOs

Info

ID:	327320
PubChem CID:	126689520
Reduced:	ClON3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	211.074562
ΔH_f, kcal/mol:	39.11
Dipole, Da:	3.87
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CN3C(=NNC3=O)C=C2)Cl

DOS

IR

Vibrations