Geometry & MOs

Info

ID:	380419
PubChem CID:	134970864
Reduced:	ON2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	214.043982
ΔH_f, kcal/mol:	61.83
Dipole, Da:	4.19
IP(EA), eV:	-8.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-(dichloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CO/C=C/C1=C(N=C2C(=N1)C3=C(N=CC=C3)C4=C2C=CC=N4)/C=C/OC

DOS

IR

Vibrations