Geometry & MOs

Info

ID:	202748
PubChem CID:	79719503
Reduced:	BrN2O2F3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	300.06924
ΔH_f, kcal/mol:	-226.9
Dipole, Da:	3.1
IP(EA), eV:	-9.21(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)N)C(=O)N(CCO)CC(F)(F)F

DOS

IR

Vibrations