Geometry & MOs

Info

ID:	253162
PubChem CID:	103116436
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	290.058595
ΔH_f, kcal/mol:	-142.29
Dipole, Da:	6.73
IP(EA), eV:	-9.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylimidazol-2-yl)-1-(1,3-thiazol-5-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC(CCC(=O)N)C(=O)O

DOS

IR

Vibrations