Geometry & MOs

Info

ID:	250310
PubChem CID:	103095572
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	270.032668
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	4.05
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-3-(1-chloropropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC(=C(C=C2)OC)OC)Cl

DOS

IR

Vibrations