Geometry & MOs

Info

ID:	250338
PubChem CID:	103095802
Reduced:	ClN2O2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	246.113506
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	2.85
IP(EA), eV:	-10.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3-ethoxypropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2CCC(O2)C)Cl

DOS

IR

Vibrations