Geometry & MOs

Info

ID:	327321
PubChem CID:	126689529
Reduced:	ON3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	305.09644
ΔH_f, kcal/mol:	48.81
Dipole, Da:	2.83
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC3=NNC(=O)N32

DOS

IR

Vibrations