Geometry & MOs

Info

ID:	50486
PubChem CID:	12013027
Reduced:	OH18C21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	322.020006
ΔH_f, kcal/mol:	43.56
Dipole, Da:	1.71
IP(EA), eV:	-8.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,6,7,8,9-octafluoro-5-methylbenzo[b][1]benzoborole

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations