Geometry & MOs

Info

ID:	83332
PubChem CID:	49857460
Reduced:	BrNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	292.111818
ΔH_f, kcal/mol:	-66.64
Dipole, Da:	4.56
IP(EA), eV:	-10.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@H]2C[C@H](C=C([C@H]2O1)Br)CC#N)C

DOS

IR

Vibrations