Geometry & MOs

Info

ID:	250391
PubChem CID:	103096240
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	3.09
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)CC2CCSCC2)O

DOS

IR

Vibrations