Geometry & MOs

Info

ID:	21744
PubChem CID:	589742
Reduced:	B2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	336.134034
ΔH_f, kcal/mol:	-281.47
Dipole, Da:	1.26
IP(EA), eV:	-9.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-4,11-diphenyl-3,5,7,10,12-pentaoxa-4,11-diboratricyclo[7.3.0.02,6]dodecane

Drug info:

PubChemData

Smile

B1(OC2C(OC3C(C2O1)OB(O3)C4=CC=CC=C4)C)C5=CC=CC=C5

DOS

IR

Vibrations