Geometry & MOs

Info

ID:

427505

PubChem CID:

135159421

Reduced:

NS2C50H51 (1)

Stoich.:

AB2C50D51 (1)

Weight, g/mol:

689.32938

ΔHf, kcal/mol:

137.3

Dipole, Da:

4.44

IP(EA), eV:

 -7.85(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-1,5-dien-1-yl-1-methyl-4-(6'-phenylspiro[3,4,5,10a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)-1,2-dihydrocarbazole

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)C3=C(N2C4CC=CC=C4)C(=CC=C3)C5CC6=C(C=C5)C7(C8C=CCCC8SC9C7C=C(CC9)C1CCC=CC1)C1=CC=CC=C1S6

DOS

IR

Vibrations