Geometry & MOs

Info

ID:

440052

PubChem CID:

135229937

Reduced:

NO2H45C66 (1)

Stoich.:

AB2C45D66 (1)

Weight, g/mol:

895.34503

ΔHf, kcal/mol:

194.36

Dipole, Da:

2.55

IP(EA), eV:

 -8.26(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-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-13,8'-tetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene]-12'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3CC=CC4=C3C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC2=CC=CC=C29)C2=CC=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations