Geometry & MOs

Info

ID:	139473
PubChem CID:	52538429
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	426.231215
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	6.74
IP(EA), eV:	-8.62(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)NC[C@@H]([C@H]3CCOC3)N4CCCC4

DOS

IR

Vibrations