Geometry & MOs

Info

ID:	19697
PubChem CID:	570656
Reduced:	BO4C12H14 (2)
Stoich.:	AB4C12D14 (2)
Weight, g/mol:	466.197028
ΔH_f, kcal/mol:	-355.92
Dipole, Da:	0.86
IP(EA), eV:	-8.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzoyloxymethyl)-2,6-diethyl-4,4a,8,8a-tetrahydro-[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinin-8-yl]methyl benzoate

Drug info:

PubChemData

Smile

B1(OC(C2C(O1)C(OB(O2)CC)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)CC

DOS

IR

Vibrations