Geometry & MOs

Info

ID:

440031

PubChem CID:

135229916

Reduced:

NOH43C70 (1)

Stoich.:

ABC43D70 (1)

Weight, g/mol:

881.32938

ΔHf, kcal/mol:

270.75

Dipole, Da:

0.7

IP(EA), eV:

 -8.25(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC=CC4=C3C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations