Geometry & MOs

Info

ID:	133339
PubChem CID:	51510679
Reduced:	OSN4C22H36 (1)
Stoich.:	ABC4D22E36 (1)
Weight, g/mol:	346.249452
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	4.16
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[(2R,4S,5S)-5-[[benzyl(methyl)amino]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C1CCC(CC1)N2C(=O)C3CCCCC3N4C2=NN=C4SC(C)C

DOS

IR

Vibrations