Geometry & MOs

Info

ID:	133871
PubChem CID:	51605535
Reduced:	NSCl3O4H8C17 (1)
Stoich.:	ABC3D4E8F17 (1)
Weight, g/mol:	292.238888
ΔH_f, kcal/mol:	-5.58
Dipole, Da:	13.28
IP(EA), eV:	-9.36(-3.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-yl]cyclopentene-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(=O)[O-])C(=CC=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations