Geometry & MOs

Info

ID:

3069

PubChem CID:

9113

Reduced:

H11C21 (2)

Stoich.:

A11B21 (2)

Weight, g/mol:

526.172151

ΔHf, kcal/mol:

178.37

Dipole, Da:

0.02

IP(EA), eV:

 -7.67(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

undecacyclo[30.6.2.210,13.02,27.04,25.06,23.08,21.011,20.012,17.029,39.036,40]dotetraconta-1(39),2,4,6(23),7,9,11(20),12,14,16,18,21,24,26,28,30,32(40),33,35,37,41-henicosaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=CC6=CC7=C(C=C8C=C9C=CC1=C3C9=C(C8=C7)C=CC3=CC=C1)C=C6C=C45)C=C2

DOS

IR

Vibrations