Geometry & MOs

Info

ID:	385260
PubChem CID:	134978635
Reduced:	BO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	205.99024
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	3.01
IP(EA), eV:	-9.83(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1H-2-benzoborinine

Drug info:

PubChemData

Smile

B(CC#C)(OC(C)C)OC(C)C

DOS

IR

Vibrations