Geometry & MOs

Info

ID:	410229
PubChem CID:	135083020
Reduced:	NF3O5C13H14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	460.228141
ΔH_f, kcal/mol:	-294.21
Dipole, Da:	5.33
IP(EA), eV:	-10.03(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C/C=C/CON)C(F)(F)F.C(=O)(C(=O)O)O

DOS

IR

Vibrations