Geometry & MOs

Info

ID:	89333
PubChem CID:	49960531
Reduced:	NO2H5C6 (4)
Stoich.:	AB2C5D6 (4)
Weight, g/mol:	745.82721
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	8.23
IP(EA), eV:	-9.25(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dibromo-6-methylphenoxy)-1-[4-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2,3-dihydroquinoxalin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations