Geometry & MOs

Info

ID:	136538
PubChem CID:	52058833
Reduced:	O4N5C28H31 (1)
Stoich.:	A4B5C28D31 (1)
Weight, g/mol:	387.219629
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	3.27
IP(EA), eV:	-9.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)CN3CCC(CC3)C(=O)N4CC(=O)N(C(=O)C4)CCC5=CC=CC=C5

DOS

IR

Vibrations