Geometry & MOs

Info

ID:	336226
PubChem CID:	127255233
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	416.20597
ΔH_f, kcal/mol:	24.57
Dipole, Da:	7.33
IP(EA), eV:	-8.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)C(=O)NC3CCCC4=C3NC5=CC=CC=C45

DOS

IR

Vibrations