Geometry & MOs

Info

ID:	341253
PubChem CID:	127263688
Reduced:	BO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	246.142725
ΔH_f, kcal/mol:	-189.98
Dipole, Da:	3.91
IP(EA), eV:	-9.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-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)C)C=O

DOS

IR

Vibrations