Geometry & MOs

Info

ID:	250357
PubChem CID:	103095954
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	254.082205
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	3.73
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations