Geometry & MOs

Info

ID:	250430
PubChem CID:	103096514
Reduced:	SO2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	-7.44
Dipole, Da:	2.66
IP(EA), eV:	-9.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(N=CS2)C)O

DOS

IR

Vibrations