Geometry & MOs

Info

ID:

427499

PubChem CID:

135159389

Reduced:

N2H34C45 (1)

Stoich.:

A2B34C45 (1)

Weight, g/mol:

680.340279

ΔHf, kcal/mol:

208.16

Dipole, Da:

1.43

IP(EA), eV:

 -7.94(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-2,4-dien-1-yl-1-[6'-(1,2,3,6-tetrahydropyridin-5-yl)spiro[3,4-dihydroxanthene-9,9'-4a,9a-dihydroxanthene]-3-yl]-1,2,4a,9a-tetrahydrocarbazole

Drug info:

PubChemData

Smile

C1C=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations