Geometry & MOs

Info

ID:

318739

PubChem CID:

126652996

Reduced:

OH34C59 (1)

Stoich.:

AB34C59 (1)

Weight, g/mol:

709.240565

ΔHf, kcal/mol:

279.55

Dipole, Da:

1.25

IP(EA), eV:

 -8.46(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-(12-naphthalen-1-ylchrysen-6-yl)spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C=C(C5=CC=CC=C54)C6=CC7=C(C=C6)C8=C(C79C1=CC=CC=C1C1=C9C2=CC=CC=C2O1)C=CC1=CC=CC=C18)C1=CC=CC=C13

DOS

IR

Vibrations