Geometry & MOs

Info

ID:	250413
PubChem CID:	103096393
Reduced:	SN2O2C8H14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	-40.52
Dipole, Da:	3.78
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations