Geometry & MOs

Info

ID:	250327
PubChem CID:	103095714
Reduced:	ClON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	257.038961
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	3.33
IP(EA), eV:	-10.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CCC2CCCC2)Cl

DOS

IR

Vibrations