Geometry & MOs

Info

ID:	169152
PubChem CID:	75068302
Reduced:	BrN3O3C31H38 (1)
Stoich.:	AB3C3D31E38 (1)
Weight, g/mol:	500.291317
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	5.76
IP(EA), eV:	-8.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-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)CC4=NC=C(O4)C5=CC=CC=C5)N6CCCCC6.[Br-]

DOS

IR

Vibrations