Geometry & MOs

Info

ID:	253173
PubChem CID:	103116501
Reduced:	SN3O3H11C14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	288.108322
ΔH_f, kcal/mol:	-40.11
Dipole, Da:	13.95
IP(EA), eV:	-9.07(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(S3)C(=O)O

DOS

IR

Vibrations