Geometry & MOs

Info

ID:	341251
PubChem CID:	127263686
Reduced:	BNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	310.03759
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	1.37
IP(EA), eV:	-10.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(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)C=O)C#N

DOS

IR

Vibrations