Geometry & MOs

Info

ID:	140887
PubChem CID:	52776739
Reduced:	Cl2O2N3C21H30 (1)
Stoich.:	A2B2C3D21E30 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	13.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.849820
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-methylphenyl)-N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)[C@H](C)CNC(=O)[C@H]2CCCN2C(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations