Geometry & MOs

Info

ID:	169857
PubChem CID:	75158739
Reduced:	ClN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	10.92
IP(EA), eV:	-8.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-tert-butyl-N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxaline-1,4-diium-6-yl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NC2=CC3=[N+](C(=O)C(=O)[N+](=C3C=C2Cl)C)C

DOS

IR

Vibrations