Geometry & MOs

Info

ID:	66443
PubChem CID:	46504585
Reduced:	ClN2O7C29H31 (1)
Stoich.:	AB2C7D29E31 (1)
Weight, g/mol:	587.263151
ΔH_f, kcal/mol:	-215.36
Dipole, Da:	7.82
IP(EA), eV:	-8.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NC3=CC(=C(C=C3OC)OC)Cl)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations