Geometry & MOs

Info

ID:	386352
PubChem CID:	134981472
Reduced:	NbC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	466.04314
ΔH_f, kcal/mol:	217.09
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.964332
Charge, e:	0

Chem-info

IUPAC name:

bromo-[[(1S,2R)-2-tert-butylperoxycyclohexyl]methyl]mercury

Drug info:

PubChemData

Smile

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH][CH][CH]1.[Nb-]

DOS

IR

Vibrations