Geometry & MOs

Info

ID:	231231
PubChem CID:	87573084
Reduced:	SiO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	873.18878
ΔH_f, kcal/mol:	-159.46
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751172
Charge, e:	0

Chem-info

IUPAC name:

1,1,2,2,3,3,4,4,5,6-decabromocyclohexane

Drug info:

PubChemData

Smile

CCCCCCC=C(C(=O)O)C(C)(C)CC(=O)O[Si]

DOS

IR

Vibrations