Geometry & MOs

Info

ID:	184953
PubChem CID:	77234549
Reduced:	ON3Cl5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	465.072223
ΔH_f, kcal/mol:	-89.1
Dipole, Da:	6.68
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3,3,5,5-tetrachloro-N-[(1-methylpiperidin-2-yl)-phenylmethyl]cyclohexene-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCCC1C(C2=CC=CC=C2)NC(=O)C3=CC(C(C(C3)(Cl)Cl)N)(Cl)Cl.Cl

DOS

IR

Vibrations