Geometry & MOs

Info

ID:	327322
PubChem CID:	126689531
Reduced:	FON3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	150.054161
ΔH_f, kcal/mol:	23.72
Dipole, Da:	4.52
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=CC=C2)F)C3=CN4C(=NNC4=O)C=C3

DOS

IR

Vibrations