Geometry & MOs

Info

ID:

407899

PubChem CID:

135080654

Reduced:

ClNO2C8H14 (1)

Stoich.:

ABC2D8E14 (1)

Weight, g/mol:

1997.26233

ΔHf, kcal/mol:

-75.5

Dipole, Da:

2.22

IP(EA), eV:

-9.26(0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

cobalt(2+);6,7,15,16,24,25,33,34-octakis(3-octylpyrazol-1-yl)-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Drug info:

PubChemData

Smile

CCC1(C(O1)N2CCOCC2)Cl

DOS

IR

Vibrations