Geometry & MOs

Info

ID:	341249
PubChem CID:	127263684
Reduced:	BO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	260.158375
ΔH_f, kcal/mol:	-199.63
Dipole, Da:	5.25
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-(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=C2C=O)C)C

DOS

IR

Vibrations