Geometry & MOs

Info

ID:	250432
PubChem CID:	103096538
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	314.00662
ΔH_f, kcal/mol:	-45.85
Dipole, Da:	3.42
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2CCSC2)O

DOS

IR

Vibrations