Geometry & MOs

Info

ID:

52080

PubChem CID:

12014863

Reduced:

O2C21H22 (1)

Stoich.:

A2B21C22 (1)

Weight, g/mol:

580.168797

ΔHf, kcal/mol:

-24.23

Dipole, Da:

1.81

IP(EA), eV:

 -9.29(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

decacyclo[18.18.0.02,7.08,13.09,30.012,29.014,19.022,37.023,28.031,36]octatriaconta-1(38),2,4,6,8(13),14,16,18,20,22(37),23,25,27,29,31,33,35-heptadecaene-10,10,11,11-tetracarbonitrile

Drug info:

PubChemData

Smile

C=C(CC(C1=CC=CC=C1)O)/C=C/2\CCOCC3=CC=CC=C23

DOS

IR

Vibrations