Geometry & MOs

Info

ID:

388440

PubChem CID:

134989173

Reduced:

NO2C15H15 (1)

Stoich.:

AB2C15D15 (1)

Weight, g/mol:

1178.22865

ΔHf, kcal/mol:

-24.37

Dipole, Da:

3.39

IP(EA), eV:

-9.96(-0.55)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

europium(3+);2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;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

C=C1[C@@H]([C@H](OC1=O)C2=CC=CC=C2)CCCC#N

DOS

IR

Vibrations