Geometry & MOs

Info

ID:	374583
PubChem CID:	131331787
Reduced:	BrClNH3O3C6 (1)
Stoich.:	ABCD3E3F6 (1)
Weight, g/mol:	310.87516
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	5.27
IP(EA), eV:	-9.95(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-chloro-5-nitrophenyl)-2-chloroethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations