Geometry & MOs

Info

ID:

317047

PubChem CID:

126632342

Reduced:

N5H69C97 (1)

Stoich.:

A5B69C97 (1)

Weight, g/mol:

1380.589952

ΔHf, kcal/mol:

377.01

Dipole, Da:

2.66

IP(EA), eV:

 -8.13(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC(=C6)C7=CC(=CC=C7)C8=CC(=NC(=N8)N9C2=C(C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C29)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