Geometry & MOs

Info

ID:	38111
PubChem CID:	8027126
Reduced:	OSN4C8H8 (1)
Stoich.:	ABC4D8E8 (1)
Weight, g/mol:	190.049075
ΔH_f, kcal/mol:	20.78
Dipole, Da:	5.14
IP(EA), eV:	-8.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-4-yl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC(=C2N)C(=O)NN

DOS

IR

Vibrations