Geometry & MOs

Info

ID:

428932

PubChem CID:

135168448

Reduced:

NH19C31 (2)

Stoich.:

AB19C31 (2)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

284.27

Dipole, Da:

0.88

IP(EA), eV:

 -7.68(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)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]-10-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC3=C2C4=CC=CC=C4C35C6=CC=CC=C6C7=CC=CC=C57)C8=CC9=C1C(=C8)C2(C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C2N1C1=CC=CC=C19

DOS

IR

Vibrations