Geometry & MOs

Info

ID:

427483

PubChem CID:

135159313

Reduced:

NOC24H25 (2)

Stoich.:

ABC24D25 (2)

Weight, g/mol:

686.387229

ΔHf, kcal/mol:

206.85

Dipole, Da:

2.35

IP(EA), eV:

 -8.36(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohex-3-en-1-yl-1-(6-piperidin-2-ylspiro[1,2,4a,9a-tetrahydroxanthene-9,9'-2,3,8a,10a-tetrahydroxanthene]-2-yl)-3,4-dihydrocarbazole

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3(C4CCC=CC4OC5C3C=CC(=C5)C6CC=CCN6)C7C=C(C=CC7O2)C8CC=CC9[C@H]8N(C1=CC=CC=C91)C1CC=CC=C1

DOS

IR

Vibrations