Geometry & MOs

Info

ID:	73431
PubChem CID:	48417680
Reduced:	N2O2F3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	411.132524
ΔH_f, kcal/mol:	-200.21
Dipole, Da:	5.38
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloropyridin-3-yl)-[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=CC(=CC=C3)OC

DOS

IR

Vibrations