Geometry & MOs

Info

ID:

440051

PubChem CID:

135229936

Reduced:

NOH51C83 (1)

Stoich.:

ABC51D83 (1)

Weight, g/mol:

883.34503

ΔHf, kcal/mol:

330.15

Dipole, Da:

0.99

IP(EA), eV:

 -8.17(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-3-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'-3,4-dihydrofluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=CC5=C4C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC3=CC=CC=C31)C1=CC=CC3=C1C1=CC=CC=C1C31C3=CC=CC=C3C3=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations