Geometry & MOs

Info

ID:	222352
PubChem CID:	85297194
Reduced:	NO5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	404.226392
ΔH_f, kcal/mol:	-238.52
Dipole, Da:	6.2
IP(EA), eV:	-8.77(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;fluoride

Drug info:

PubChemData

Smile

CC(C)C1CC(N(C1C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)C3CCC(=O)O3

DOS

IR

Vibrations