Geometry & MOs

Info

ID:

427467

PubChem CID:

135159194

Reduced:

NO2H35C36 (1)

Stoich.:

AB2C35D36 (1)

Weight, g/mol:

729.346293

ΔHf, kcal/mol:

129.91

Dipole, Da:

2.2

IP(EA), eV:

 -8.52(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(7-cyclohexyl-6'-methylspiro[1,2,4a,8a,9a,10a-hexahydrothioxanthene-9,9'-2,3,5,6,8a,10a-hexahydrothioxanthene]-4-yl)-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2=CC3=C(C=C2)C4(C5C=CC=CC5OC6C4C=CC(C6)C7=CCCNC7)C8=CC=CC=C8O3

DOS

IR

Vibrations