Geometry & MOs

Info

ID:

11809

PubChem CID:

121311

Reduced:

NO2C22H25 (2)

Stoich.:

AB2C22D25 (2)

Weight, g/mol:

670.377058

ΔHf, kcal/mol:

-48.99

Dipole, Da:

2.3

IP(EA), eV:

 -7.66(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

[8-[[4-[4-[(3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl]phenyl]methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=C(C=C5)C[N+]6(C7CCC6CC(C7)OC(=O)C8=CC=CC=C8)C

DOS

IR

Vibrations