Geometry & MOs

Info

ID:	50244
PubChem CID:	12012759
Reduced:	BO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	276.153289
ΔH_f, kcal/mol:	-199.2
Dipole, Da:	3.51
IP(EA), eV:	-8.35(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations