Geometry & MOs

Info

ID:

309303

PubChem CID:

126543752

Reduced:

N3H37C52 (1)

Stoich.:

A3B37C52 (1)

Weight, g/mol:

635.239519

ΔHf, kcal/mol:

277.17

Dipole, Da:

0.4

IP(EA), eV:

 -8.94(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexa-1,3-dien-1-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-spiro[cyclopentane-1,9'-fluorene]-4'-yl-1,3,5-triazine

Drug info:

PubChemData

Smile

C=C/C=C\C1=C(C(C2=CC=CC=C21)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=NC(=NC(=N6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations