Geometry & MOs

Info

ID:	169447
PubChem CID:	75105581
Reduced:	ClN2O6C24H27 (1)
Stoich.:	AB2C6D24E27 (1)
Weight, g/mol:	317.112404
ΔH_f, kcal/mol:	-243.46
Dipole, Da:	1.97
IP(EA), eV:	-9.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methylpiperazin-1-yl)methyl]-7-nitroquinoxaline-2,3-dione

Drug info:

PubChemData

Smile

C1C(C(=O)N2C(COCC2C(=O)O)C3=CC=CC=C31)NC(CCC4=CC=CC=C4)C(=O)O.Cl

DOS

IR

Vibrations