Geometry & MOs

Info

ID:

47569

PubChem CID:

10534480

Reduced:

NO34C56H79 (1)

Stoich.:

AB34C56D79 (1)

Weight, g/mol:

1312.935769

ΔHf, kcal/mol:

-1548.68

Dipole, Da:

7.36

IP(EA), eV:

 -9.67(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[6-[3,6-bis(2-undecyl-1,3-dioxolan-2-yl)carbazol-9-yl]hexa-2,4-diynyl]-3,6-bis(2-undecyl-1,3-dioxolan-2-yl)carbazole

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OCC=C)COC(=O)C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations