Geometry & MOs

Info

ID:	411581
PubChem CID:	135084413
Reduced:	BrFO2H3N3C6 (1)
Stoich.:	ABC2D3E3F6 (1)
Weight, g/mol:	247.94709
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	2.37
IP(EA), eV:	-10.57(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-[(Z)-3-bromo-3-fluoroprop-2-enoxy]-1-cyano-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C(/C=C(/F)\Br)O/C(=C(\C#N)/[N+]#N)/[O-]

DOS

IR

Vibrations