Geometry & MOs

Info

ID:	250297
PubChem CID:	103095450
Reduced:	ClON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	-27.13
Dipole, Da:	3.54
IP(EA), eV:	-10.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-chloropropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2CCCCCCC2)Cl

DOS

IR

Vibrations