Geometry & MOs

Info

ID:	135871
PubChem CID:	51951840
Reduced:	ClSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	300.207587
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	4.04
IP(EA), eV:	-9.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-cyano-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)CCCl

DOS

IR

Vibrations