Geometry & MOs

Info

ID:	142811
PubChem CID:	53095287
Reduced:	ON6H14C18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	153.56
Dipole, Da:	5.77
IP(EA), eV:	-9.44(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclopentylethyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)C#N)N=N1

DOS

IR

Vibrations