Geometry & MOs

Info

ID:

318740

PubChem CID:

126653001

Reduced:

NOH31C54 (1)

Stoich.:

ABC31D54 (1)

Weight, g/mol:

659.224915

ΔHf, kcal/mol:

228.6

Dipole, Da:

1.75

IP(EA), eV:

 -8.44(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C(C5=CC=CC=C54)C6=CC7=C(C=C6)C8=C(C79C1=CC=CC=C1C1=C9C2=CC=CC=C2O1)C=CC=N8)C1=CC=CC=C13

DOS

IR

Vibrations