Geometry & MOs

Info

ID:	151915
PubChem CID:	56310740
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	6.01
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=C(O4)C

DOS

IR

Vibrations