Geometry & MOs

Info

ID:

408298

PubChem CID:

135081062

Reduced:

BrOF3C10H16 (1)

Stoich.:

ABC3D10E16 (1)

Weight, g/mol:

719.004015

ΔHf, kcal/mol:

-212.65

Dipole, Da:

3.64

IP(EA), eV:

-9.72(-0.81)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

copper;5,7,14,16,23,25,32,34-octafluoro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CCCCCC/C=C(/OCC(F)(F)F)\Br

DOS

IR

Vibrations