Geometry & MOs

Info

ID:

439972

PubChem CID:

135229843

Reduced:

NO2H51C82 (1)

Stoich.:

AB2C51D82 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

285.61

Dipole, Da:

2.31

IP(EA), eV:

 -8.17(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC3=CC=CC=C31)C1=CC=C(C=C1)C1=C3C4=CC=CC=C4OC3=CC=C1)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations