Geometry & MOs

Info

ID:

411946

PubChem CID:

135084802

Reduced:

BrN3O3C26H28 (1)

Stoich.:

AB3C3D26E28 (1)

Weight, g/mol:

519.15214

ΔHf, kcal/mol:

31.03

Dipole, Da:

14.12

IP(EA), eV:

 -8.14(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-ethenyl-2-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]benzonitrile;bromide

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=C(C=C5)[N+](=O)[O-].[Br-]

DOS

IR

Vibrations