Geometry & MOs

Info

ID:

448799

PubChem CID:

135293671

Reduced:

NH31C49 (1)

Stoich.:

AB31C49 (1)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

205.9

Dipole, Da:

1.7

IP(EA), eV:

 -8.14(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-N-(4-phenylphenyl)-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]-1'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4(C5=CC=CC=C5C6=CC=CC(=C64)C7=CC8=C(C=C7)C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C12

DOS

IR

Vibrations