Geometry & MOs

Info

ID:	253176
PubChem CID:	103116530
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	275.076687
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	2.84
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations