Geometry & MOs

Info

ID:	250326
PubChem CID:	103095713
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	256.134241
ΔH_f, kcal/mol:	-20.23
Dipole, Da:	2.01
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CCOC2=CC=CC=C2)Cl

DOS

IR

Vibrations