Geometry & MOs

Info

ID:

397185

PubChem CID:

135029857

Reduced:

H20C21 (2)

Stoich.:

A20B21 (2)

Weight, g/mol:

544.313001

ΔHf, kcal/mol:

110.39

Dipole, Da:

0.23

IP(EA), eV:

 -8.46(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)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=C(C=C(CCC4=CC=C1C=C4)C=C3)/C=C/C5=C6CCC7=CC=C(CCC(=C5)C=C6)C=C7)C=C2

DOS

IR

Vibrations