Geometry & MOs

Info

ID:	169153
PubChem CID:	75068303
Reduced:	N3O3C31H38 (1)
Stoich.:	A3B3C31D38 (1)
Weight, g/mol:	535.26017
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	4.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.104778
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-piperidin-1-ylpropanoate;chloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C(=O)OC2C[N+]3(CCC2CC3)CC4=NC=C(O4)C5=CC=CC=C5)N6CCCCC6

DOS

IR

Vibrations