Geometry & MOs

Info

ID:

12712

PubChem CID:

144422

Reduced:

H5C11 (4)

Stoich.:

A5B11 (4)

Weight, g/mol:

548.156501

ΔHf, kcal/mol:

291.56

Dipole, Da:

0.53

IP(EA), eV:

 -8.05(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tridecacyclo[22.18.2.02,7.03,40.06,11.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]tetratetraconta-1(43),2,4,6,8(44),9(22),10(15),11,13,16,18,20,23,25,27,29(42),30,32,34,36(41),37,39-docosaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=CC=C3)C5=C6C7=C(C=C5)C8=CC=CC9=C8C1=C(C=C3C=CC5=CC2=C4C6=C5C3=C71)C1=CC=CC=C91

DOS

IR

Vibrations