Geometry & MOs

Info

ID:	50698
PubChem CID:	12013277
Reduced:	BO2H5F10C16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	492.037941
ΔH_f, kcal/mol:	-476.8
Dipole, Da:	4.35
IP(EA), eV:	-10.42(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-bis(2,3,4,5,6-pentafluorophenyl)boranylethenyl] benzoate

Drug info:

PubChemData

Smile

B(/C=C/OC(=O)C)(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations