Geometry & MOs

Info

ID:	24891
PubChem CID:	614259
Reduced:	BO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	224.10086
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	0.83
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethylbenzo[d][1,3,2]benzodioxaborepine

Drug info:

PubChemData

Smile

B1(OC2=CC=CC=C2C3=CC=CC=C3O1)CC

DOS

IR

Vibrations