Geometry & MOs

Info

ID:	336233
PubChem CID:	127255240
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	3.35
IP(EA), eV:	-8.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC(=C(C=C2CCN1CN3C(=O)C4=CC=CC=C4C=N3)OC)OC

DOS

IR

Vibrations