Geometry & MOs

Info

ID:	371698
PubChem CID:	131270685
Reduced:	NO5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	340.85215
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	7.87
IP(EA), eV:	-11.41(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(2-bromo-3-fluoro-5-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)OCC)C(=O)O

DOS

IR

Vibrations