Geometry & MOs

Info

ID:	139475
PubChem CID:	52538579
Reduced:	ClON3C25H32 (1)
Stoich.:	ABC3D25E32 (1)
Weight, g/mol:	426.231215
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	4.23
IP(EA), eV:	-8.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2S)-2-[(3R)-1-benzylpiperidin-3-yl]pyrrolidin-1-ium-1-yl]-N-(2-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2CCC[C@@H]2[C@@H]3CCCN(C3)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations