Geometry & MOs

Info

ID:	133513
PubChem CID:	51538555
Reduced:	ClO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	370.2243
ΔH_f, kcal/mol:	8.06
Dipole, Da:	4.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816853
Charge, e:	1

Chem-info

IUPAC name:

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](CCCN1CCOCC1)CC2=NC(=NO2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations