Geometry & MOs

Info

ID:	374346
PubChem CID:	131327206
Reduced:	BrH3N4C7 (1)
Stoich.:	AB3C4D7 (1)
Weight, g/mol:	310.87516
ΔH_f, kcal/mol:	135.14
Dipole, Da:	7.51
IP(EA), eV:	-9.81(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(2,4-dichloro-6-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C(=NN2N=C1)C#N)Br

DOS

IR

Vibrations