Geometry & MOs

Info

ID:

317017

PubChem CID:

126632287

Reduced:

N5H65C91 (1)

Stoich.:

A5B65C91 (1)

Weight, g/mol:

1380.589952

ΔHf, kcal/mol:

353.92

Dipole, Da:

2.87

IP(EA), eV:

 -8.3(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC(=NC(=N8)N9C1=C(C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC=CC=C19)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations