Geometry & MOs

Info

ID:	207271
PubChem CID:	80368807
Reduced:	SO3N4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	247.070539
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	9.04
IP(EA), eV:	-9.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)NC2=C(C=C(S2)C)C(=O)O

DOS

IR

Vibrations