Geometry & MOs

Info

ID:

316990

PubChem CID:

126632219

Reduced:

NH12C17 (6)

Stoich.:

AB12C17 (6)

Weight, g/mol:

1380.589952

ΔHf, kcal/mol:

412.14

Dipole, Da:

2.72

IP(EA), eV:

 -8.27(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N9C2=CC=CC=C2C2=C9C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC(=CC=C2)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