Geometry & MOs

Info

ID:	253565
PubChem CID:	103119275
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	238.081438
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	5.34
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations