Geometry & MOs

Info

ID:	252952
PubChem CID:	103115121
Reduced:	SO2N6H10C11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	288.108322
ΔH_f, kcal/mol:	53.41
Dipole, Da:	4.43
IP(EA), eV:	-9.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC3=CSC=N3)C(=O)O

DOS

IR

Vibrations