Geometry & MOs

Info

ID:	43554
PubChem CID:	10321462
Reduced:	ClN2O4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	448.156513
ΔH_f, kcal/mol:	-104.15
Dipole, Da:	2.76
IP(EA), eV:	-8.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-[2-[4-(4-fluorophenoxy)-2,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CN([C@@H]([C@H]1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations