Geometry & MOs

Info

ID:	250360
PubChem CID:	103095993
Reduced:	ClON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	314.049191
ΔH_f, kcal/mol:	14.0
Dipole, Da:	3.07
IP(EA), eV:	-9.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC=CC=C2C)Cl

DOS

IR

Vibrations