Geometry & MOs

Info

ID:	89332
PubChem CID:	49960530
Reduced:	BrNO2H10C12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	492.128114
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	2.68
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenoxy)-1-[4-[2-(4-nitrophenoxy)acetyl]-2,3-dihydroquinoxalin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)Br)C(=O)COC4=CC=C(C=C4)Br

DOS

IR

Vibrations