Geometry & MOs

Info

ID:	15797
PubChem CID:	451334
Reduced:	BrFO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	230.95605
ΔH_f, kcal/mol:	-90.68
Dipole, Da:	2.6
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-6-(18F)fluoranyl-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)CBr)[18F]

DOS

IR

Vibrations