Geometry & MOs

Info

ID:

411955

PubChem CID:

135084811

Reduced:

N3H17C18 (1)

Stoich.:

A3B17C18 (1)

Weight, g/mol:

932.30625

ΔHf, kcal/mol:

110.77

Dipole, Da:

3.51

IP(EA), eV:

 -8.75(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(R)-[5-ethenyl-1-[[4-[[5-ethenyl-2-[(R)-prop-2-enoxy(quinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline;dibromide

Drug info:

PubChemData

Smile

C1CC2=NN([C]N2[C@H]1CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations