Geometry & MOs

Info

ID:	136548
PubChem CID:	52060652
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	465.213795
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	7.63
IP(EA), eV:	-8.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations