Geometry & MOs

Info

ID:	250358
PubChem CID:	103095957
Reduced:	ClN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	3.15
IP(EA), eV:	-9.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CCC2=CC=CO2)Cl

DOS

IR

Vibrations