Geometry & MOs

Info

ID:

436868

PubChem CID:

135212425

Reduced:

N6H34C55 (1)

Stoich.:

A6B34C55 (1)

Weight, g/mol:

621.220498

ΔHf, kcal/mol:

314.56

Dipole, Da:

5.99

IP(EA), eV:

 -8.13(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(9,9'-spirobi[fluorene]-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC(=C3)N4C5=CC=CC=C5C6=C4N7C8=CC=CC=C8C9=CC=CC=C9C7=N6)N1C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations