Geometry & MOs

Info

ID:

298090

PubChem CID:

117647484

Reduced:

O4C5H9 (4)

Stoich.:

A4B5C9 (4)

Weight, g/mol:

716.319149

ΔHf, kcal/mol:

-723.37

Dipole, Da:

1.76

IP(EA), eV:

 -10.2(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[7-(4-carbazol-9-ylphenyl)-10,10-dimethyl-13-pentacyclo[7.6.1.01,11.02,14.05,16]hexadeca-3,5(16),6,8,12-pentaenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H](C([C@@H](OC1CO)O[C@H]2[C@@H](C([C@@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)OC)O)O)O)O)O)O

DOS

IR

Vibrations