Geometry & MOs

Info

ID:

316554

PubChem CID:

126631224

Reduced:

N5O5C31H45 (1)

Stoich.:

A5B5C31D45 (1)

Weight, g/mol:

973.414447

ΔHf, kcal/mol:

-158.29

Dipole, Da:

5.3

IP(EA), eV:

 -9.05(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1,4-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole

Drug info:

PubChemData

Smile

C/C=C\1/C=C/[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C(=N/C(=C1)/C(=C)C)C=C)C)C)C(C)C)C

DOS

IR

Vibrations