Geometry & MOs

Info

ID:	124949
PubChem CID:	50905009
Reduced:	NOH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	550.181212
ΔH_f, kcal/mol:	7.13
Dipole, Da:	2.5
IP(EA), eV:	-9.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2-[3-[4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propyl]piperazin-1-yl]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C2=CC=CC=N2)C3=CC=CC=N3

DOS

IR

Vibrations