Geometry & MOs

Info

ID:	192617
PubChem CID:	78291759
Reduced:	NF3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	396.181585
ΔH_f, kcal/mol:	-240.54
Dipole, Da:	3.36
IP(EA), eV:	-10.44(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-1-ium-4-yl)methanol;chloride;dihydrate

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=C(C1=O)C=C(C=C2)C(F)(F)F

DOS

IR

Vibrations