Geometry & MOs

Info

ID:

317045

PubChem CID:

126632339

Reduced:

N6O7C36H52 (1)

Stoich.:

A6B7C36D52 (1)

Weight, g/mol:

1468.621252

ΔHf, kcal/mol:

-314.37

Dipole, Da:

4.15

IP(EA), eV:

 -7.78(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[7-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-9,9-diphenylfluoren-2-yl]pyrimidin-2-yl]carbazole

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3(C=CC4=C(N3)C=C(C=C4)/C=C/N(CCCC(=O)N[C@H](C(=O)N1)C(C)C)C(=O)OC(C)(C)C)C)C

DOS

IR

Vibrations