Geometry & MOs

Info

ID:	136567
PubChem CID:	52065097
Reduced:	FO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	441.169343
ΔH_f, kcal/mol:	-66.22
Dipole, Da:	2.24
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-2-methoxy-N-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)NC(=O)C4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations