Geometry & MOs

Info

ID:

379464

PubChem CID:

134434095

Reduced:

SN5H29C53 (1)

Stoich.:

AB5C29D53 (1)

Weight, g/mol:

694.240899

ΔHf, kcal/mol:

314.31

Dipole, Da:

7.2

IP(EA), eV:

 -8.01(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(9,9'-spirobi[fluorene]-2-yl)-12,19-diazaoctacyclo[17.10.1.02,18.04,16.05,13.06,11.020,25.026,30]triaconta-1(29),2(18),3,5(13),6,8,10,14,16,20,22,24,26(30),27-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC=NC3=NC(=N2)N4C5=C(C6=CC=CC=C64)C7=CC8=C(C=C7C=C5)N9C1=C(C=C(C=C1)C1=CC2=C(C=C1)SC1=CC=CC=C12)C1=C9C8=CC=C1

DOS

IR

Vibrations