Geometry & MOs

Info

ID:

316338

PubChem CID:

126630704

Reduced:

N5H63C89 (1)

Stoich.:

A5B63C89 (1)

Weight, g/mol:

1151.492697

ΔHf, kcal/mol:

344.04

Dipole, Da:

4.46

IP(EA), eV:

 -8.07(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[2,6-bis[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=NC8=C(C=C(C=C8)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=CC3=C(C=C21)C(C1=CC=CC=C13)(C)C)C(=N7)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC3=C(C=C21)C(C1=CC=CC=C13)(C)C)C

DOS

IR

Vibrations