Geometry & MOs

Info

ID:

10805

PubChem CID:

108166

Reduced:

N2O2Cl3C37H45 (1)

Stoich.:

A2B2C3D37E45 (1)

Weight, g/mol:

654.254662

ΔHf, kcal/mol:

-73.67

Dipole, Da:

13.01

IP(EA), eV:

 -8.36(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;chloride

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC[C@](C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-]

DOS

IR

Vibrations