Geometry & MOs

Info

ID:	18171
PubChem CID:	538693
Reduced:	BO6C10H17 (1)
Stoich.:	AB6C10D17 (1)
Weight, g/mol:	244.111818
ΔH_f, kcal/mol:	-341.16
Dipole, Da:	1.28
IP(EA), eV:	-10.48(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-2-(2-ethyl-1,3,2-dioxaborolan-4-yl)ethyl] acetate

Drug info:

PubChemData

Smile

B1(OCC(O1)C(COC(=O)C)OC(=O)C)CC

DOS

IR

Vibrations