Geometry & MOs

Info

ID:

317021

PubChem CID:

126632293

Reduced:

N6O6C31H46 (1)

Stoich.:

A6B6C31D46 (1)

Weight, g/mol:

1430.605602

ΔHf, kcal/mol:

-151.83

Dipole, Da:

5.28

IP(EA), eV:

 -8.0(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCCC(C(=O)O[C@@H](C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)N[C@H](C(N1)O)C(C)C)(C)C)C(=O)N2C)C)C)N

DOS

IR

Vibrations