Geometry & MOs

Info

ID:

404142

PubChem CID:

135065175

Reduced:

PO2C16H17 (1)

Stoich.:

AB2C16D17 (1)

Weight, g/mol:

1521.51348

ΔHf, kcal/mol:

-81.74

Dipole, Da:

4.26

IP(EA), eV:

-9.19(-0.26)

Spin(Sz, S2):

None, None

Charge, e:

-4

Chem-info

IUPAC name:

europium;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;5,14,23,32-tetra(pentan-3-yloxy)-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

C/C(=C\C1=CC=CC=C1)/CP(=O)(C2=CC=CC=C2)O

DOS

IR

Vibrations