Geometry & MOs

Info

ID:	341244
PubChem CID:	127263679
Reduced:	BF3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	310.03759
ΔH_f, kcal/mol:	-386.09
Dipole, Da:	6.02
IP(EA), eV:	-9.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)OC(F)(F)F)C=O

DOS

IR

Vibrations