Geometry & MOs

Info

ID:

386888

PubChem CID:

134983271

Reduced:

H11C15 (2)

Stoich.:

A11B15 (2)

Weight, g/mol:

550.214409

ΔHf, kcal/mol:

261.18

Dipole, Da:

0.33

IP(EA), eV:

-8.3(-0.91)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

dimethyl 14,15-dimethylhexacyclo[26.2.2.02,11.04,10.018,27.019,25]dotriaconta-1(30),2(11),3,5,7,9,12,14,16,18(27),19,21,23,25,28,31-hexadecaene-3,26-dicarboxylate

Drug info:

PubChemData

Smile

C\1=C\C=C\C=C\C=C\C2=CC=CC=C2C#CC#CC3=CC=CC=C3/C=C/C=C/C=C1

DOS

IR

Vibrations