Geometry & MOs

Info

ID:

439889

PubChem CID:

135229745

Reduced:

NO2H53C73 (1)

Stoich.:

AB2C53D73 (1)

Weight, g/mol:

959.37633

ΔHf, kcal/mol:

222.33

Dipole, Da:

1.09

IP(EA), eV:

 -7.96(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(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'-3,4-dihydrofluorene]-4'-ylphenyl)fluoren-3-amine

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)/C=C\C(=C)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5CC=CC6=C5C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C

DOS

IR

Vibrations