Geometry & MOs

Info

ID:

317014

PubChem CID:

126632277

Reduced:

N5H67C95 (1)

Stoich.:

A5B67C95 (1)

Weight, g/mol:

1227.523997

ΔHf, kcal/mol:

373.65

Dipole, Da:

2.71

IP(EA), eV:

 -8.19(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N=C(N=C8C9=CC(=CC=C9)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations