Geometry & MOs

Info

ID:

316995

PubChem CID:

126632231

Reduced:

NH12C17 (6)

Stoich.:

AB12C17 (6)

Weight, g/mol:

1430.605602

ΔHf, kcal/mol:

412.73

Dipole, Da:

2.69

IP(EA), eV:

 -8.35(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-2-yl)-9-[4-[4-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-2-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]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=NC(=NC(=N8)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations