Geometry & MOs

Info

ID:

317078

PubChem CID:

126632433

Reduced:

S3N5H55C94 (1)

Stoich.:

A3B5C55D94 (1)

Weight, g/mol:

1429.610353

ΔHf, kcal/mol:

444.31

Dipole, Da:

3.56

IP(EA), eV:

 -8.15(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4,6-bis[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]quinolin-8-yl]phenyl]-3-(9,9-dimethylfluoren-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=CN=C(N=C5C6=CC(=CC=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)SC2=CC=CC=C21)C1=CC=CC=C17)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC4=C(C=C2)SC2=CC=CC=C24)C2=CC=CC=C21)C=CC(=C3)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations