Geometry & MOs

Info

ID:

2694

PubChem CID:

8317

Reduced:

OH8C17 (2)

Stoich.:

AB8C17 (2)

Weight, g/mol:

456.11503

ΔHf, kcal/mol:

65.14

Dipole, Da:

0.04

IP(EA), eV:

 -8.53(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C9=CC=CC=C9C8=O)C2=O

DOS

IR

Vibrations