Geometry & MOs

Info

ID:

428738

PubChem CID:

135168052

Reduced:

N2H52C81 (1)

Stoich.:

A2B52C81 (1)

Weight, g/mol:

1053.408299

ΔHf, kcal/mol:

360.33

Dipole, Da:

1.74

IP(EA), eV:

 -7.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)C7=CC=CC=C7C6(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations