Geometry & MOs

Info

ID:	164920
PubChem CID:	74473110
Reduced:	Cl2O2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	324.093736
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	6.52
IP(EA), eV:	-9.45(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCC(C)N(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations