Geometry & MOs

Info

ID:

445208

PubChem CID:

135264937

Reduced:

S2N7H35C59 (1)

Stoich.:

A2B7C35D59 (1)

Weight, g/mol:

452.188863

ΔHf, kcal/mol:

354.35

Dipole, Da:

3.33

IP(EA), eV:

 -8.36(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylpyridin-4-yl]furo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C=C(S6)C7=CC(=CC=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)N1C2=C(C3=CC=CC=C31)C1=C(C=C2)C=CS1)C1=CC=CC=C1

DOS

IR

Vibrations