Geometry & MOs

Info

ID:	140003
PubChem CID:	52628463
Reduced:	O2F3N3C22H30 (1)
Stoich.:	A2B3C3D22E30 (1)
Weight, g/mol:	390.126569
ΔH_f, kcal/mol:	-251.56
Dipole, Da:	6.93
IP(EA), eV:	-8.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CC2=CC=C(C=C2)CNC(=O)[C@@H]3CC(=O)N(C3)CC(F)(F)F)C

DOS

IR

Vibrations