Geometry & MOs

Info

ID:	136935
PubChem CID:	52125028
Reduced:	O4N5C28H35 (1)
Stoich.:	A4B5C28D35 (1)
Weight, g/mol:	458.240344
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	28.58
IP(EA), eV:	-5.85(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CC4=NN=C(O4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations