Geometry & MOs

Info

ID:	250307
PubChem CID:	103095559
Reduced:	ClON4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	41.5
Dipole, Da:	3.11
IP(EA), eV:	-10.21(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-yl)-3-(1-chloropropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=C(C=C(N=N1)C)C2=NC(=NO2)C(CC)Cl

DOS

IR

Vibrations