Geometry & MOs

Info

ID:

318743

PubChem CID:

126653014

Reduced:

NSH33C56 (1)

Stoich.:

ABC33D56 (1)

Weight, g/mol:

710.260966

ΔHf, kcal/mol:

260.18

Dipole, Da:

1.36

IP(EA), eV:

 -8.41(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-(4-phenylphenyl)-10b,10c-dihydropyren-4-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(C=C(C5=CC=CC=C54)C6=CC7=C(C=C6)C8=C(C79C1=CC=CC=C1C1=C9C2=CC=CC=C2S1)C=CC=N8)C1=CC=CC=C13

DOS

IR

Vibrations