Geometry & MOs

Info

ID:

428984

PubChem CID:

135168569

Reduced:

NH19C31 (2)

Stoich.:

AB19C31 (2)

Weight, g/mol:

936.350449

ΔHf, kcal/mol:

284.16

Dipole, Da:

0.78

IP(EA), eV:

 -7.74(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)N4C5=CC=CC=C5C6(C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC3=C94)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations