Geometry & MOs

Info

ID:

428955

PubChem CID:

135168540

Reduced:

NH22C34 (2)

Stoich.:

AB22C34 (2)

Weight, g/mol:

938.366099

ΔHf, kcal/mol:

304.49

Dipole, Da:

2.22

IP(EA), eV:

 -7.92(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)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]-17-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC4=C(C=C3)C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC9=C8N4C1=CC=CC=C91)C1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations