Geometry & MOs

Info

ID:

428916

PubChem CID:

135168431

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

810.303499

ΔHf, kcal/mol:

317.65

Dipole, Da:

0.93

IP(EA), eV:

 -7.66(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-(9,9'-spirobi[fluorene]-2-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)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC7=CC=CC=C76)C8=CC9=C1C(=C8)C2(C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C2N1C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations