Geometry & MOs

Info

ID:

427475

PubChem CID:

135159258

Reduced:

N2O2H48C49 (1)

Stoich.:

A2B2C48D49 (1)

Weight, g/mol:

707.268043

ΔHf, kcal/mol:

213.98

Dipole, Da:

3.45

IP(EA), eV:

 -8.15(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-1,5-dien-1-yl-1-(3-phenylspiro[3,4-dihydrothioxanthene-9,9'-5,10a-dihydrothioxanthene]-3'-yl)-1,2,7,8-tetrahydrocarbazole

Drug info:

PubChemData

Smile

C1CC(=CC=C1)N2C3C=CC=CC3C4C2C=C(C=C4)C5=C6C(C7=CC=CC=C7OC6=CC=C5)C8C9C=CC=CC9OC1C8C=CC(C1)C1CC=CCN1

DOS

IR

Vibrations