Geometry & MOs

Info

ID:

316491

PubChem CID:

126631003

Reduced:

N5H51C71 (1)

Stoich.:

A5B51C71 (1)

Weight, g/mol:

973.414447

ΔHf, kcal/mol:

292.65

Dipole, Da:

4.79

IP(EA), eV:

 -8.2(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2,3-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C5=CC=CC=C5N(C4=C3)C6=CC7=C(C=C6)N=NC(=C7N8C9=CC=CC=C9C1=CC2=C(C=C18)C1=CC=CC=C1C2(C)C)N1C2=CC=CC=C2C2=CC3=C(C=C21)C1=CC=CC=C1C3(C)C)C

DOS

IR

Vibrations