Geometry & MOs

Info

ID:

439713

PubChem CID:

135229516

Reduced:

NOH53C78 (1)

Stoich.:

ABC53D78 (1)

Weight, g/mol:

957.36068

ΔHf, kcal/mol:

263.78

Dipole, Da:

1.77

IP(EA), eV:

 -7.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(3-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]-2'-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C2=CC=CC=C2C=C9)OC2=C8C=CC3=CC=CC=C32)C2=CC(=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C

DOS

IR

Vibrations