Geometry & MOs

Info

ID:

428776

PubChem CID:

135168155

Reduced:

NH23C37 (2)

Stoich.:

AB23C37 (2)

Weight, g/mol:

936.350449

ΔHf, kcal/mol:

426.91

Dipole, Da:

3.01

IP(EA), eV:

 -7.89(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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(C3=C(C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)C7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C91C2=CC=CC=C2N2C4=CC=CC=C4C4=C2C1=CC=C4)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations