Geometry & MOs

Info

ID:

317006

PubChem CID:

126632256

Reduced:

N5H69C97 (1)

Stoich.:

A5B69C97 (1)

Weight, g/mol:

1278.543002

ΔHf, kcal/mol:

376.24

Dipole, Da:

0.58

IP(EA), eV:

 -8.29(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-2-yl)-9-[2-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC(=NC(=N9)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations