Geometry & MOs

Info

ID:	161744
PubChem CID:	57392517
Reduced:	O2F3N5C24H26 (1)
Stoich.:	A2B3C5D24E26 (1)
Weight, g/mol:	478.281815
ΔH_f, kcal/mol:	-178.24
Dipole, Da:	4.36
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=CC(=NC(=N2)NC3CCCCC3)NC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations