Geometry & MOs

Info

ID:	140469
PubChem CID:	52703618
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	9.85
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](N1C(=O)CNC2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)F)Cl)C

DOS

IR

Vibrations