Geometry & MOs

Info

ID:	162568
PubChem CID:	57395095
Reduced:	FO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	501.286566
ΔH_f, kcal/mol:	-80.38
Dipole, Da:	1.84
IP(EA), eV:	-9.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate

Drug info:

PubChemData

Smile

CC(=O)NCC1=NOC(=N1)C2=CC(=C(C=C2)N3CCOCC3)F

DOS

IR

Vibrations