Geometry & MOs

Info

ID:

428841

PubChem CID:

135168289

Reduced:

NH22C34 (2)

Stoich.:

AB22C34 (2)

Weight, g/mol:

888.350449

ΔHf, kcal/mol:

310.98

Dipole, Da:

2.3

IP(EA), eV:

 -8.07(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-(2-phenylphenyl)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=C2)N(C3=CC=CC4=C3C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC9=C8C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations