Geometry & MOs

Info

ID:	50127
PubChem CID:	12012633
Reduced:	OSN3H11C17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	584.226964
ΔH_f, kcal/mol:	84.69
Dipole, Da:	7.48
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(R)-[(2S)-5-ethenyl-1-fluoro-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] naphthalene-1-carboxylate;tetrafluoroborate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C(C(=C(O3)N)C#N)C4=CN=CC=C4

DOS

IR

Vibrations