Geometry & MOs

Info

ID:	403025
PubChem CID:	135058378
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	374.75643
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	3.83
IP(EA), eV:	-8.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-tribromo-4-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C2=CC=CC=C2O1)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations