Geometry & MOs

Info

ID:	250412
PubChem CID:	103096384
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	202.077599
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	2.78
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C(C)OC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations