Geometry & MOs

Info

ID:

428652

PubChem CID:

135167903

Reduced:

NH21C34 (2)

Stoich.:

AB21C34 (2)

Weight, g/mol:

910.334799

ΔHf, kcal/mol:

307.91

Dipole, Da:

2.15

IP(EA), eV:

 -7.92(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenanthren-9-yl-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations