Geometry & MOs

Info

ID:

316987

PubChem CID:

126632211

Reduced:

N5H65C91 (1)

Stoich.:

A5B65C91 (1)

Weight, g/mol:

1429.610353

ΔHf, kcal/mol:

353.65

Dipole, Da:

0.67

IP(EA), eV:

 -8.32(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[1,3-bis[4-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]isoquinolin-7-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=CC(=NC(=N7)N8C9=CC=CC=C9C2=C8C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)N2C3=CC=CC=C3C3=C2C=C(C=C3)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations