Geometry & MOs

Info

ID:	400840
PubChem CID:	135049214
Reduced:	BBr3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	488.315663
ΔH_f, kcal/mol:	-1.02
Dipole, Da:	1.2
IP(EA), eV:	-9.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bis(6-ethoxy-6-oxohexoxy)boranyloxyhexanoate

Drug info:

PubChemData

Smile

B(/C=C(/Br)\CC)(/C=C(/Br)\CC)/C=C(/Br)\CC

DOS

IR

Vibrations