Geometry & MOs

Info

ID:

439817

PubChem CID:

135229660

Reduced:

NOH31C51 (1)

Stoich.:

ABC31D51 (1)

Weight, g/mol:

929.32938

ΔHf, kcal/mol:

185.51

Dipole, Da:

1.33

IP(EA), eV:

 -8.22(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzofuran-2-yl-N-(9,9-diphenylfluoren-2-yl)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'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=CC=CC=C6C7=C(C=CC=C57)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C=CC1=CC=CC=C14

DOS

IR

Vibrations