Geometry & MOs

Info

ID:	184950
PubChem CID:	77234546
Reduced:	FO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	503.064551
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	4.37
IP(EA), eV:	-9.29(-0.84)
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]cyclohexane-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)CCC4=CC=CC=C4)F)O

DOS

IR

Vibrations