Geometry & MOs

Info

ID:

393495

PubChem CID:

135020763

Reduced:

ON3C20H37 (1)

Stoich.:

AB3C20D37 (1)

Weight, g/mol:

773.93414

ΔHf, kcal/mol:

-32.07

Dipole, Da:

4.05

IP(EA), eV:

-9.75(0.24)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6,25-diiodotridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2(15),3,5,7,9,11,13,16(29),17,19,21,23,25,27,30,32,34,36,38,40-henicosaene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1=CN(N=N1)C(C)(C)C2CO2

DOS

IR

Vibrations