Geometry & MOs

Info

ID:	371708
PubChem CID:	131270856
Reduced:	ClN2F3O3H4C7 (1)
Stoich.:	AB2C3D3E4F7 (1)
Weight, g/mol:	290.92978
ΔH_f, kcal/mol:	-262.68
Dipole, Da:	4.41
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-(2-chloro-4-nitrophenyl)propan-2-one

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1OC(F)(F)F)Cl)C(=O)O)N

DOS

IR

Vibrations