Geometry & MOs

Info

ID:	393540
PubChem CID:	135020975
Reduced:	ON3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	432.350449
ΔH_f, kcal/mol:	27.1
Dipole, Da:	1.85
IP(EA), eV:	-8.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-ethyl-1-[[7-[(3-ethyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]naphthalen-2-yl]methyl]-1-azoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CC1(CCCC(N1OCC2CN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)(C)C)C

DOS

IR

Vibrations