Geometry & MOs

Info

ID:

409112

PubChem CID:

135081888

Reduced:

H15C26 (2)

Stoich.:

A15B26 (2)

Weight, g/mol:

578.203451

ΔHf, kcal/mol:

220.52

Dipole, Da:

0.43

IP(EA), eV:

 -8.34(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

undecacyclo[24.20.0.02,23.04,21.07,20.010,19.013,18.028,45.029,42.030,39.031,36]hexatetraconta-1(26),2(23),3,5,7(20),8,10(19),11,13,15,17,21,24,27,29(42),30(39),31,33,35,37,40,43,45-tricosaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=C4C6=C(C=C5)C=CC(=C6)C7=CC8=C(C=CC9=C8C1=C(C=C9)C=CC2=C1C1=CC=CC=C1C=C2)C=C7)C=C3

DOS

IR

Vibrations