Geometry & MOs

Info

ID:

405079

PubChem CID:

135072495

Reduced:

OC6H7 (2)

Stoich.:

AB6C7 (2)

Weight, g/mol:

865.8456

ΔHf, kcal/mol:

-14.62

Dipole, Da:

2.98

IP(EA), eV:

-9.99(-0.94)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6,15,24-triiodo-1-phenoxy-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

COC1(C=CC(=O)C=C1)CCC=C=C

DOS

IR

Vibrations