Geometry & MOs

Info

ID:

316349

PubChem CID:

126630773

Reduced:

N5H63C89 (1)

Stoich.:

A5B63C89 (1)

Weight, g/mol:

1152.487946

ΔHf, kcal/mol:

360.3

Dipole, Da:

2.34

IP(EA), eV:

 -8.27(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=CC8=C(C=C7)N=C(N=C8C9=CC(=CC=C9)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2C1(C)C)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2C1(C)C)C

DOS

IR

Vibrations