Geometry & MOs

Info

ID:	136544
PubChem CID:	52059710
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	467.235497
ΔH_f, kcal/mol:	26.04
Dipole, Da:	7.9
IP(EA), eV:	-9.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCNC(=O)C1CCN(CC1)CC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations