Geometry & MOs

Info

ID:	385274
PubChem CID:	134978665
Reduced:	NC9H13 (1)
Stoich.:	AB9C13 (1)
Weight, g/mol:	223.96442
ΔH_f, kcal/mol:	33.84
Dipole, Da:	4.62
IP(EA), eV:	-9.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-bromoethenyl]-1,3,2-benzodioxaborole

Drug info:

PubChemData

Smile

CCCC/C=C/C=C\C#N

DOS

IR

Vibrations