Geometry & MOs

Info

ID:

427500

PubChem CID:

135159405

Reduced:

NOH22C24 (2)

Stoich.:

ABC22D24 (2)

Weight, g/mol:

691.34503

ΔHf, kcal/mol:

103.49

Dipole, Da:

3.85

IP(EA), eV:

 -8.24(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-1,5-dien-1-yl-4-(6'-cyclohexa-1,3-dien-1-ylspiro[1,2-dihydroxanthene-9,9'-3,4,5,6-tetrahydroxanthene]-2'-yl)-1-methyl-1,2-dihydrocarbazole

Drug info:

PubChemData

Smile

C1CNCC(=C1)C2=CC3=C(C=C2)C4(C5C=CC=CC5O3)C6=C(CC(C=C6)C7CC=CC8C7N(C9=CC=CC=C89)C1CC=CC=C1)OC1=CC=CC=C41

DOS

IR

Vibrations