Geometry & MOs

Info

ID:	73432
PubChem CID:	48417681
Reduced:	ClOF3N3C20H21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	406.186813
ΔH_f, kcal/mol:	-154.95
Dipole, Da:	1.74
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations