Geometry & MOs

Info

ID:	327324
PubChem CID:	126689537
Reduced:	ON3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	79.14
Dipole, Da:	3.34
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylmethoxy)-6-phenyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC1C#CC2=CC=CC3=NNC(=O)N32

DOS

IR

Vibrations