Geometry & MOs

Info

ID:

428818

PubChem CID:

135168211

Reduced:

NH21C34 (2)

Stoich.:

AB21C34 (2)

Weight, g/mol:

936.350449

ΔHf, kcal/mol:

309.37

Dipole, Da:

1.65

IP(EA), eV:

 -8.04(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations