Geometry & MOs

Info

ID:

429049

PubChem CID:

135168714

Reduced:

NH23C37 (2)

Stoich.:

AB23C37 (2)

Weight, g/mol:

1012.38175

ΔHf, kcal/mol:

329.1

Dipole, Da:

1.31

IP(EA), eV:

 -8.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-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=CC=C(C=C2)N(C3=CC=C(C=C3)C4=C5C6=CC=CC=C6C7(C5=CC=C4)C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations