Geometry & MOs

Info

ID:

317055

PubChem CID:

126632353

Reduced:

NH15C22 (5)

Stoich.:

AB15C22 (5)

Weight, g/mol:

1440.683853

ΔHf, kcal/mol:

443.76

Dipole, Da:

0.79

IP(EA), eV:

 -8.16(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C(C5=CC=CC=C54)C6=NC(=NC(=N6)C7=CC8=C(C=C7)C9=C(C82C3=CC=CC=C3C3=CC=CC=C23)C=C(C=C9)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)C2=CC=CC=C21)C

DOS

IR

Vibrations