Geometry & MOs

Info

ID:

439816

PubChem CID:

135229659

Reduced:

O2N3H73C116 (1)

Stoich.:

A2B3C73D116 (1)

Weight, g/mol:

673.240565

ΔHf, kcal/mol:

438.24

Dipole, Da:

0.91

IP(EA), eV:

 -7.7(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(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=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC4=C3C=CC(=C4)C5=CC6=C(C=C5)C=CC7=C6OC8=C(C79C1=C(C2=CC=CC=C92)C(=CC=C1)N(C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21)C=CC1=CC=CC=C18)C1=CC=CC2=C1C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations