Geometry & MOs

Info

ID:	341243
PubChem CID:	127263678
Reduced:	BO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	316.109374
ΔH_f, kcal/mol:	-264.75
Dipole, Da:	4.09
IP(EA), eV:	-10.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethoxy)benzaldehyde

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)OC)C=O

DOS

IR

Vibrations