Geometry & MOs

Info

ID:	151924
PubChem CID:	56310751
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	498.230077
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	5.95
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)C)O

DOS

IR

Vibrations