Geometry & MOs

Info

ID:	136934
PubChem CID:	52123732
Reduced:	FO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	10.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033863
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1NC(=O)C3CC[NH+](CC3)CC4=NN=C(O4)C5=CC=C(C=C5)F

DOS

IR

Vibrations