Geometry & MOs

Info

ID:

439845

PubChem CID:

135229688

Reduced:

NOH47C63 (1)

Stoich.:

ABC47D63 (1)

Weight, g/mol:

749.271865

ΔHf, kcal/mol:

187.9

Dipole, Da:

1.06

IP(EA), eV:

 -8.03(-0.59)

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]-3'-ylphenyl)carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4CC=CC5=C4C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC2=C(C=C1)C(C1=CC=CC=C12)(C)C)C

DOS

IR

Vibrations