Geometry & MOs

Info

ID:	444281
PubChem CID:	135261948
Reduced:	F2O3C5H8 (1)
Stoich.:	A2B3C5D8 (1)
Weight, g/mol:	272.013678
ΔH_f, kcal/mol:	-233.92
Dipole, Da:	1.46
IP(EA), eV:	-10.17(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfonate

Drug info:

PubChemData

Smile

CC(=CCF)F.C(=O)(O)O

DOS

IR

Vibrations