Geometry & MOs

Info

ID:	250409
PubChem CID:	103096371
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	6.48
IP(EA), eV:	-10.54(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)O

DOS

IR

Vibrations