Geometry & MOs

Info

ID:	413488
PubChem CID:	135086437
Reduced:	BrMgO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	217.015076
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	15.13
IP(EA), eV:	-6.77(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-2-(2,3,4,5-tetrafluorophenyl)propanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[O-].[Mg+2].[Br-]

DOS

IR

Vibrations