Geometry & MOs

Info

ID:	253164
PubChem CID:	103116447
Reduced:	SN3O3H11C12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	275.076687
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	6.09
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylimidazol-2-yl)-1-(1,2,4-oxadiazol-5-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N(CS1)C(=O)C2=C3C=CC=CN3N=C2)C(=O)O

DOS

IR

Vibrations