Geometry & MOs

Info

ID:	140893
PubChem CID:	52778768
Reduced:	Cl2N2O2C22H27 (1)
Stoich.:	A2B2C2D22E27 (1)
Weight, g/mol:	420.137134
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994133
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@H]1CCC[NH+](C1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations