Geometry & MOs

Info

ID:

316352

PubChem CID:

126630776

Reduced:

NH10C14 (6)

Stoich.:

AB10C14 (6)

Weight, g/mol:

1201.508347

ΔHf, kcal/mol:

357.59

Dipole, Da:

2.98

IP(EA), eV:

 -8.32(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[2,4-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]quinazolin-6-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=CC(=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=C9C2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2C1(C)C)C

DOS

IR

Vibrations