Geometry & MOs

Info

ID:	250316
PubChem CID:	103095635
Reduced:	ClN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	243.023311
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	3.01
IP(EA), eV:	-10.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2C(C(OC2C)C)C)Cl

DOS

IR

Vibrations