Geometry & MOs

Info

ID:

439814

PubChem CID:

135229657

Reduced:

NOH27C45 (1)

Stoich.:

ABC27D45 (1)

Weight, g/mol:

749.271865

ΔHf, kcal/mol:

163.52

Dipole, Da:

1.53

IP(EA), eV:

 -8.25(-0.74)

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]-4'-ylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=C(C7=CC=CC=C57)C(=CC=C6)N8C9=CC=CC=C9C1=CC=CC=C18)C=CC1=CC=CC=C14

DOS

IR

Vibrations