Geometry & MOs

Info

ID:	139474
PubChem CID:	52538578
Reduced:	ClON3C25H33 (1)
Stoich.:	ABC3D25E33 (1)
Weight, g/mol:	425.22339
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768850
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations