Geometry & MOs

Info

ID:	18541
PubChem CID:	542558
Reduced:	BO6C16H23 (1)
Stoich.:	AB6C16D23 (1)
Weight, g/mol:	322.158769
ΔH_f, kcal/mol:	-294.51
Dipole, Da:	2.95
IP(EA), eV:	-9.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(18),14,16-trien-18-yl)-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OCCO1)C2=C3COCCOCCOCCOCC2=CC=C3

DOS

IR

Vibrations