Geometry & MOs

Info

ID:	169150
PubChem CID:	75068300
Reduced:	BrO2N3C31H40 (1)
Stoich.:	AB2C3D31E40 (1)
Weight, g/mol:	486.312053
ΔH_f, kcal/mol:	-49.58
Dipole, Da:	11.52
IP(EA), eV:	-7.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[2-(1H-indol-3-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-piperidin-1-ylpropanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C(=O)OC2C[N+]3(CCC2CC3)CCC4=CNC5=CC=CC=C54)N6CCCCC6.[Br-]

DOS

IR

Vibrations