Geometry & MOs

Info

ID:	400573
PubChem CID:	135048386
Reduced:	BCl2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	284.085604
ΔH_f, kcal/mol:	6.44
Dipole, Da:	2.74
IP(EA), eV:	-9.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-4-(1,3,2-benzodioxaborol-2-yl)-6-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Drug info:

PubChemData

Smile

B(CC1=CC=CC=C1)(/C=C(/C2=CC=CC=C2)\Cl)Cl

DOS

IR

Vibrations