Geometry & MOs

Info

ID:

439802

PubChem CID:

135229623

Reduced:

NOH31C51 (1)

Stoich.:

ABC31D51 (1)

Weight, g/mol:

749.271865

ΔHf, kcal/mol:

185.89

Dipole, Da:

2.2

IP(EA), eV:

 -8.24(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-3-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C=CC1=CC=CC=C14

DOS

IR

Vibrations