Geometry & MOs

Info

ID:

325384

PubChem CID:

126683017

Reduced:

NH11C18 (4)

Stoich.:

AB11C18 (4)

Weight, g/mol:

689.283098

ΔHf, kcal/mol:

331.94

Dipole, Da:

5.42

IP(EA), eV:

 -7.97(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-11,11-dimethyl-3-phenylindeno[1,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C94)C1=CC=CC=C1C1=C2C=C(C=C1)N1C2=C(C=C(C=C2)N2C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C21

DOS

IR

Vibrations