Geometry & MOs

Info

ID:	374584
PubChem CID:	131331805
Reduced:	BrNCl2O3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	310.87516
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	3.17
IP(EA), eV:	-10.63(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-6-chloro-3-nitrophenyl)-2-chloroethanone

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Br)C(=O)CCl

DOS

IR

Vibrations