Geometry & MOs

Info

ID:

429106

PubChem CID:

135168893

Reduced:

NH25C39 (2)

Stoich.:

AB25C39 (2)

Weight, g/mol:

1012.38175

ΔHf, kcal/mol:

344.47

Dipole, Da:

1.46

IP(EA), eV:

 -8.06(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-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]-2'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC4=C3C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations