Geometry & MOs

Info

ID:

311623

PubChem CID:

126595697

Reduced:

N7H25C46 (1)

Stoich.:

A7B25C46 (1)

Weight, g/mol:

1241.539647

ΔHf, kcal/mol:

334.39

Dipole, Da:

6.49

IP(EA), eV:

 -7.91(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[6-[6-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazol-2-yl]naphthalen-1-yl]-5-naphthalen-1-ylindolo[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=C(C=C(C=C5)C#N)C#N)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=C(C=C(C=C9)C#N)C#N

DOS

IR

Vibrations