Geometry & MOs

Info

ID:	379372
PubChem CID:	134419212
Reduced:	N2O3C23H36 (1)
Stoich.:	A2B3C23D36 (1)
Weight, g/mol:	484.390303
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	4.68
IP(EA), eV:	-4.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

[(2R)-3,3-dimethylbutan-2-yl] 4-[[4-[3-(1-azoniabicyclo[2.2.2]octan-1-yl)propyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C[C@H](C(C)(C)C)OC(=O)C1=CC=CC(=C1)C[N+]23CC[N+](CC2)(CC3)CC(=O)C

DOS

IR

Vibrations