Geometry & MOs

Info

ID:

317051

PubChem CID:

126632347

Reduced:

NH12C17 (6)

Stoich.:

AB12C17 (6)

Weight, g/mol:

1344.589952

ΔHf, kcal/mol:

413.69

Dipole, Da:

2.06

IP(EA), eV:

 -8.16(-1.14)

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-[7-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]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=C(C=C7)C8=CC(=CC=C8)C9=NC(=NC(=N9)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)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