Geometry & MOs

Info

ID:

404340

PubChem CID:

135065911

Reduced:

C10H13 (2)

Stoich.:

A10B13 (2)

Weight, g/mol:

851.7299

ΔHf, kcal/mol:

4.79

Dipole, Da:

0.7

IP(EA), eV:

 -8.96(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-bromo-5,14,23-triiodo-11,20,29,30,31-pentaza-2-azonia-1-boranuidanonacyclo[17.10.1.13,28.02,10.04,9.012,30.013,18.021,29.022,27]hentriaconta-2(10),3(31),4(9),5,7,11,13(18),14,16,19,21,23,25,27-tetradecaene

Drug info:

PubChemData

Smile

CCCCCCC(C1=CC=CC=C1)C2=CC=C(C=C2)C

DOS

IR

Vibrations