Geometry & MOs

Info

ID:	169151
PubChem CID:	75068301
Reduced:	O2N3C31H40 (1)
Stoich.:	A2B3C31D40 (1)
Weight, g/mol:	579.20965
ΔH_f, kcal/mol:	-11.4
Dipole, Da:	3.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752235
Charge, e:	0

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;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations