Geometry & MOs

Info

ID:

439853

PubChem CID:

135229696

Reduced:

NO2H39C63 (1)

Stoich.:

AB2C39D63 (1)

Weight, g/mol:

953.365765

ΔHf, kcal/mol:

204.73

Dipole, Da:

1.2

IP(EA), eV:

 -8.01(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC=C15)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations