Geometry & MOs

Info

ID:	138613
PubChem CID:	52393388
Reduced:	ClSN2O3C15H23 (1)
Stoich.:	ABC2D3E15F23 (1)
Weight, g/mol:	309.233074
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	4.66
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-N-methyl-N-(2-phenylethyl)piperidin-1-ium-4-amine

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CCCNS(=O)(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations