Geometry & MOs

Info

ID:	371808
PubChem CID:	131271777
Reduced:	Br2O3H6C8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	402.81078
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	3.96
IP(EA), eV:	-9.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)CC(=O)O)Br)Br

DOS

IR

Vibrations