Geometry & MOs

Info

ID:

328900

PubChem CID:

126728974

Reduced:

F3N6O31C98H105 (1)

Stoich.:

A3B6C31D98E105 (1)

Weight, g/mol:

738.13198

ΔHf, kcal/mol:

-1189.05

Dipole, Da:

8.35

IP(EA), eV:

 -8.86(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-7-[7-(7-bromo-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,2-dihydrofluoren-2-yl]-9,9-dimethylfluorene

Drug info:

PubChemData

Smile

CCOC(=O)CC1(C2=C(C=CC(=C2)C#CC3=CC(=NC(=C3)CN(CC4=NC(=CC(=C4)C#CC5=C(C=C(C=C5OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(=O)OCC)CC(=O)OCC)CN(CC6=NC(=CC(=C6)C#CC7=C(C=C(C=C7OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(=O)OCC)CC(=O)OCC)C8=C1C=C(C=C8)NC(=O)C(F)(F)F)CC(=O)OCC

DOS

IR

Vibrations