Geometry & MOs

Info

ID:

316996

PubChem CID:

126632232

Reduced:

N5H75C107 (1)

Stoich.:

A5B75C107 (1)

Weight, g/mol:

1380.589952

ΔHf, kcal/mol:

435.68

Dipole, Da:

3.63

IP(EA), eV:

 -8.0(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-2-yl)-9-[4-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[4-[2-(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)C6=CC=CC=C6N5C7=CC=C(C=C7)C8=CC9=C(C=C8)N=C(N=C9C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations