Geometry & MOs

Info

ID:	341254
PubChem CID:	127263689
Reduced:	BO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	262.137639
ΔH_f, kcal/mol:	-189.7
Dipole, Da:	4.48
IP(EA), eV:	-9.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-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(=CC(=C2)C=O)C

DOS

IR

Vibrations