Geometry & MOs

Info

ID:

386678

PubChem CID:

134982515

Reduced:

O5C17H24 (1)

Stoich.:

A5B17C24 (1)

Weight, g/mol:

1429.067117

ΔHf, kcal/mol:

-194.35

Dipole, Da:

1.34

IP(EA), eV:

-9.2(-0.11)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4,6,10,12,16,18,22,24-octamethoxy-2,8,14,20-tetra(tridecyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-5,11,17,23-tetracarbonitrile

Drug info:

PubChemData

Smile

CC1=C2COCCOCCOCC(=C2COC)C3=C1COC3

DOS

IR

Vibrations