Geometry & MOs

Info

ID:

316356

PubChem CID:

126630788

Reduced:

NH10C14 (6)

Stoich.:

AB10C14 (6)

Weight, g/mol:

1201.508347

ΔHf, kcal/mol:

355.57

Dipole, Da:

1.24

IP(EA), eV:

 -8.19(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=C9C2=C(C=C1)C(C1=CC=CC=C12)(C)C)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C(C2=CC=CC=C21)(C)C)C

DOS

IR

Vibrations