Geometry & MOs

Info

ID:

428973

PubChem CID:

135168558

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

317.87

Dipole, Da:

1.27

IP(EA), eV:

 -7.71(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-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(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC7=CC=CC=C76)C8=CC9=C(C=C8)N1C2=CC=CC=C2C2(C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC9=C21)C1=CC=CC=C1

DOS

IR

Vibrations