Geometry & MOs

Info

ID:

428689

PubChem CID:

135167940

Reduced:

NH24C37 (2)

Stoich.:

AB24C37 (2)

Weight, g/mol:

988.38175

ΔHf, kcal/mol:

324.28

Dipole, Da:

2.11

IP(EA), eV:

 -7.89(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4'-ethenyl-9,9'-spirobi[fluorene]-2-yl)-N-[2-(4-phenylphenyl)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=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations