Geometry & MOs

Info

ID:

427476

PubChem CID:

135159261

Reduced:

NS2H41C49 (1)

Stoich.:

AB2C41D49 (1)

Weight, g/mol:

668.340279

ΔHf, kcal/mol:

300.84

Dipole, Da:

4.35

IP(EA), eV:

 -8.19(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(2,3-dihydro-1H-pyrrol-5-yl)spiro[1,2,3,4,5,6-hexahydroxanthene-9,9'-1,2,3,8a,9a,10a-hexahydroxanthene]-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1CC=C(C=C1)N2C3=C(C=CCC3)C4=C2C(CC=C4)C5=CC6=C(C=C5)C7(C8=C(CC(C=C8)C9=CC=CC=C9)SC1=CC=CC=C17)C1=CC=CCC1S6

DOS

IR

Vibrations