Geometry & MOs

Info

ID:	253159
PubChem CID:	103116415
Reduced:	N3O4C8H11 (1)
Stoich.:	A3B4C8D11 (1)
Weight, g/mol:	274.081438
ΔH_f, kcal/mol:	-128.84
Dipole, Da:	7.87
IP(EA), eV:	-10.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC(CO)C(=O)O

DOS

IR

Vibrations