Geometry & MOs

Info

ID:	136545
PubChem CID:	52060051
Reduced:	SO2N5C25H33 (1)
Stoich.:	AB2C5D25E33 (1)
Weight, g/mol:	465.219846
ΔH_f, kcal/mol:	41.55
Dipole, Da:	20.7
IP(EA), eV:	-6.51(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CC4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations