Geometry & MOs

Info

ID:	341252
PubChem CID:	127263687
Reduced:	BBrO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	246.142725
ΔH_f, kcal/mol:	-177.76
Dipole, Da:	5.22
IP(EA), eV:	-9.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-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=CC(=C(C=C2)Br)C=O

DOS

IR

Vibrations