Geometry & MOs

Info

ID:	250333
PubChem CID:	103095768
Reduced:	ClON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	33.33
Dipole, Da:	3.43
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CC2=CC3=CC=CC=C3C=C2)Cl

DOS

IR

Vibrations