Geometry & MOs

Info

ID:

317004

PubChem CID:

126632254

Reduced:

N5H67C95 (1)

Stoich.:

A5B67C95 (1)

Weight, g/mol:

1201.508347

ΔHf, kcal/mol:

371.84

Dipole, Da:

1.41

IP(EA), eV:

 -8.32(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-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(C8=CC=CC=C87)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