Geometry & MOs

Info

ID:

317089

PubChem CID:

126632463

Reduced:

O3N5H55C94 (1)

Stoich.:

A3B5C55D94 (1)

Weight, g/mol:

1430.605602

ΔHf, kcal/mol:

358.71

Dipole, Da:

4.07

IP(EA), eV:

 -8.18(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC=C3N2C4=CC=CC(=C4)C5=CC(=NC(=N5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C(C=CC=C97)C1=CC2=C(C=C1)OC1=CC=CC=C12)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C(C=CC=C21)C1=CC2=C(C=C1)OC1=CC=CC=C12)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations