Geometry & MOs

Info

ID:	50487
PubChem CID:	12013028
Reduced:	BH3F8C13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	473.988546
ΔH_f, kcal/mol:	-311.01
Dipole, Da:	2.26
IP(EA), eV:	-9.96(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,6,7,8,9-octafluoro-5-(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzoborole

Drug info:

PubChemData

Smile

B1(C2=C(C3=C1C(=C(C(=C3F)F)F)F)C(=C(C(=C2F)F)F)F)C

DOS

IR

Vibrations