Geometry & MOs

Info

ID:	184952
PubChem CID:	77234548
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	501.048901
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	2.37
IP(EA), eV:	-9.24(-0.05)
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;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC12NC(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)COC5=CC=CC=C5

DOS

IR

Vibrations