Geometry & MOs

Info

ID:	182061
PubChem CID:	76834841
Reduced:	FNCl2O2H16C17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	489.183749
ΔH_f, kcal/mol:	-115.56
Dipole, Da:	4.67
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(5,5-dihydroxyhexan-3-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(CCC(=O)O)C2=CC(=C(C=C2)F)Cl)N)Cl

DOS

IR

Vibrations