Geometry & MOs

Info

ID:	46964
PubChem CID:	10528676
Reduced:	OSCl2N6C21H24 (1)
Stoich.:	ABC2D6E21F24 (1)
Weight, g/mol:	478.157869
ΔH_f, kcal/mol:	77.9
Dipole, Da:	3.43
IP(EA), eV:	-8.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile

Drug info:

PubChemData

Smile

CCC1=NN(C(=S)N1/N=C/C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CN4CCN(CC4)C

DOS

IR

Vibrations