Geometry & MOs

Info

ID:

429149

PubChem CID:

135168940

Reduced:

NH24C37 (2)

Stoich.:

AB24C37 (2)

Weight, g/mol:

977.376999

ΔHf, kcal/mol:

426.82

Dipole, Da:

1.14

IP(EA), eV:

 -7.91(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-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=CC=CC=C7C8=CC=CC=C86)C9=CC=CC1=C9N5C2=CC=CC=C12)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations