Geometry & MOs

Info

ID:	19726
PubChem CID:	571366
Reduced:	BO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	352.128949
ΔH_f, kcal/mol:	-321.52
Dipole, Da:	0.71
IP(EA), eV:	-9.68(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,11-diphenyl-3,5,7,10,12-pentaoxa-4,11-diboratricyclo[7.3.0.02,6]dodecan-6-yl)methanol

Drug info:

PubChemData

Smile

B1(OC2COC3(C(C2O1)OB(O3)C4=CC=CC=C4)CO)C5=CC=CC=C5

DOS

IR

Vibrations