Geometry & MOs

Info

ID:	140886
PubChem CID:	52776326
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	426.171508
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	3.9
IP(EA), eV:	-8.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-(2,5-dichlorobenzoyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)C(C)(C)C2=CC=CC=C2)N(C)C

DOS

IR

Vibrations