Geometry & MOs

Info

ID:

428894

PubChem CID:

135168409

Reduced:

NH19C31 (2)

Stoich.:

AB19C31 (2)

Weight, g/mol:

936.350449

ΔHf, kcal/mol:

284.77

Dipole, Da:

1.41

IP(EA), eV:

 -7.72(-0.51)

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-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)N4C5=CC=CC=C5C6=C4C(=CC=C6)C37C8=CC=CC=C8C9=CC=CC=C79)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations