Geometry & MOs

Info

ID:

389080

PubChem CID:

134991086

Reduced:

PdK2N2O8H20C24 (1)

Stoich.:

AB2C2D8E20F24 (1)

Weight, g/mol:

604.20893

ΔHf, kcal/mol:

-357.64

Dipole, Da:

11.04

IP(EA), eV:

 -6.47(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(S)-[(4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline;bromide

Drug info:

PubChemData

Smile

CC(=O)O.CC(=O)O.C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C(=O)O.[K+].[K+].[Pd]

DOS

IR

Vibrations