Geometry & MOs

Info

ID:

409113

PubChem CID:

135081889

Reduced:

H13C23 (2)

Stoich.:

A13B23 (2)

Weight, g/mol:

578.203451

ΔHf, kcal/mol:

474.35

Dipole, Da:

4.28

IP(EA), eV:

 -8.05(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

undecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4(21),5(18),6(15),7,9,11,13,16,19,22,24,27,29(46),30,32(45),33,35(44),36,38,40,42-tricosaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC5=CC6=C(C=CC7=C6C=C8C=CC9=C(C8=C7)C1=C(C=C9)C=CC2=CC=CC=C21)C=C54

DOS

IR

Vibrations