Geometry & MOs

Info

ID:

428891

PubChem CID:

135168394

Reduced:

NH20C31 (2)

Stoich.:

AB20C31 (2)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

278.63

Dipole, Da:

1.16

IP(EA), eV:

 -7.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-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(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)N8C9=CC=CC=C9C1=C8C(=CC=C1)C71C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations