Geometry & MOs

Info

ID:

428983

PubChem CID:

135168568

Reduced:

NH22C34 (2)

Stoich.:

AB22C34 (2)

Weight, g/mol:

810.303499

ΔHf, kcal/mol:

306.52

Dipole, Da:

0.98

IP(EA), eV:

 -7.73(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC4=C(C=C3)N5C6=CC=CC=C6C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC4=C15)C1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations