Geometry & MOs

Info

ID:

376910

PubChem CID:

134222943

Reduced:

N2Br4O6H60C63 (1)

Stoich.:

A2B4C6D60E63 (1)

Weight, g/mol:

585.99416

ΔHf, kcal/mol:

-43.92

Dipole, Da:

2.2

IP(EA), eV:

 -8.33(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,7-dibromo-9-[(4-methylphenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]fluorene

Drug info:

PubChemData

Smile

COCCOCCOCCC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C6=C1C=C(C=C6)C7=CC=C(C=C7)N(C8=CC=C(C=C8)Br)C9=CC=C(C=C9)Br)CCOCCOCCOC

DOS

IR

Vibrations