Geometry & MOs

Info

ID:	388684
PubChem CID:	134989872
Reduced:	HOTiC5Cl9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	224.082016
ΔH_f, kcal/mol:	-184.97
Dipole, Da:	3.89
IP(EA), eV:	-8.93(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-difluoroboranyloxy-1-(4-methylphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=[O+]1)Cl)Cl)Cl)Cl.[Cl-].Cl[Ti](Cl)(Cl)Cl

DOS

IR

Vibrations