Geometry & MOs

Info

ID:	182062
PubChem CID:	76834842
Reduced:	NCl2O3C27H33 (1)
Stoich.:	AB2C3D27E33 (1)
Weight, g/mol:	499.204485
ΔH_f, kcal/mol:	-143.21
Dipole, Da:	2.32
IP(EA), eV:	-9.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(7-oxooctan-3-yl)-3-prop-2-enylpiperidin-2-one

Drug info:

PubChemData

Smile

CCC(CC(C)(O)O)N1C(C(CC(C1=O)(C)CC=C)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations