Geometry & MOs

Info

ID:

429046

PubChem CID:

135168709

Reduced:

ON2H52C84 (1)

Stoich.:

AB2C52D84 (1)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

339.33

Dipole, Da:

1.38

IP(EA), eV:

 -7.86(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)OC8=CC=CC=C87)C9=CC1=C(C=C9)C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations