Geometry & MOs

Info

ID:

397188

PubChem CID:

135029860

Reduced:

H19C21 (2)

Stoich.:

A19B21 (2)

Weight, g/mol:

648.375602

ΔHf, kcal/mol:

356.77

Dipole, Da:

1.52

IP(EA), eV:

 -5.9(-3.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-2-(5-tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaenyl)ethenyl]tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene

Drug info:

PubChemData

Smile

C1CC2=CC=C(CCC3=C4C(=C(CCC5=CC=C1C=C5)C=C3)C=CC6=C7CCC8=CC=C(CCC(=C64)C=C7)C=C8)C=C2

DOS

IR

Vibrations