Geometry & MOs

Info

ID:

409798

PubChem CID:

135082584

Reduced:

H17C57 (2)

Stoich.:

A17B57 (2)

Weight, g/mol:

208.125201

ΔHf, kcal/mol:

1598.81

Dipole, Da:

8.36

IP(EA), eV:

 -7.75(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pentacyclo[8.6.0.02,9.05,14.06,13]hexadeca-1(10),2(9),5,13-tetraene

Drug info:

PubChemData

Smile

C1=CC2=C3C=CC=C4C3=C5C6=C2C(=C1)C7=C8C6=C9C1=C(C8=CC=C7)C=CC2=C1C1=C3C9=C5C5=C4C=CC4=C6C=CC7=C8C=CC9=C%10C=CC%11=C%12C%10=C%10C%13=C9C8=C8C9=C7C6=C(C3=C45)C3=C1C1=C2C=CC2=C1C(=C93)C1=C8C%13=C3C4=C(C=CC2=C41)C1=C2C3=C%10C3=C%12C4=C5C%11=CC=CC5=C5C=CC=C6C5=C4C4=C3C2=C(C=C1)C1=CC=CC6=C14

DOS

IR

Vibrations