Geometry & MOs

Info

ID:

317029

PubChem CID:

126632301

Reduced:

NH12C17 (6)

Stoich.:

AB12C17 (6)

Weight, g/mol:

1380.589952

ΔHf, kcal/mol:

413.3

Dipole, Da:

1.67

IP(EA), eV:

 -8.2(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N9C2=C(C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C29)C2=CC(=CC=C2)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