Geometry & MOs

Info

ID:	400742
PubChem CID:	135048939
Reduced:	BBr2O2C18H31 (1)
Stoich.:	AB2C2D18E31 (1)
Weight, g/mol:	517.85447
ΔH_f, kcal/mol:	-198.41
Dipole, Da:	2.39
IP(EA), eV:	-9.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibromo(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yl)borane

Drug info:

PubChemData

Smile

B(/C=C/CCCC)(O[C@@H]1CCCC[C@H]1Br)O[C@H]2CCCC[C@@H]2Br

DOS

IR

Vibrations