Geometry & MOs

Info

ID:

316492

PubChem CID:

126631004

Reduced:

N5H51C71 (1)

Stoich.:

A5B51C71 (1)

Weight, g/mol:

972.419198

ΔHf, kcal/mol:

287.78

Dipole, Da:

1.69

IP(EA), eV:

 -8.16(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4,7-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinolin-5-yl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC7=C(C=C6)N=C(C(=N7)N8C9=CC=CC=C9C1=CC2=C(C=C18)C(C1=CC=CC=C12)(C)C)N1C2=CC=CC=C2C2=CC3=C(C=C21)C(C1=CC=CC=C13)(C)C)C

DOS

IR

Vibrations