Geometry & MOs

Info

ID:	182057
PubChem CID:	76834459
Reduced:	NOCl2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	460.168434
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	2.33
IP(EA), eV:	-9.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-6-(5-chloropyridin-2-yl)-1-(1-methoxybutan-2-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

Drug info:

PubChemData

Smile

C1CC(C=C1)N2C(C(CCC2=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations