Geometry & MOs

Info

ID:	22397
PubChem CID:	597149
Reduced:	SN4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	166.031317
ΔH_f, kcal/mol:	76.35
Dipole, Da:	4.14
IP(EA), eV:	-8.45(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-[1,2,4]triazolo[4,3-a]pyridine-3-thiol

Drug info:

PubChemData

Smile

C1=CN2C(=NN=C2S)C(=C1)N

DOS

IR

Vibrations