Geometry & MOs

Info

ID:

412157

PubChem CID:

135085031

Reduced:

ON2C29H32 (2)

Stoich.:

AB2C29D32 (2)

Weight, g/mol:

550.238706

ΔHf, kcal/mol:

220.97

Dipole, Da:

8.51

IP(EA), eV:

 -3.56(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(S)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;chloride

Drug info:

PubChemData

Smile

C=CCO[C@@H](C1CC2CC[N+]1(CC2C=C)CC3=CC(=CC=C3)C4=CC=CC(=C4)C[N+]56CCC(CC5[C@@H](C7=CC=NC8=CC=CC=C78)OCC=C)C(C6)C=C)C9=CC=NC1=CC=CC=C91

DOS

IR

Vibrations