Geometry & MOs

Info

ID:	196150
PubChem CID:	78789170
Reduced:	Cl2N3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	313.124485
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	4.9
IP(EA), eV:	-9.54(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC(=NC(=C3)Cl)Cl

DOS

IR

Vibrations