Geometry & MOs

Info

ID:

317983

PubChem CID:

126648205

Reduced:

ON7C19H23 (1)

Stoich.:

AB7C19D23 (1)

Weight, g/mol:

1784.340775

ΔHf, kcal/mol:

70.82

Dipole, Da:

3.35

IP(EA), eV:

 -8.16(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridin-3-yl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)NC2=NC3=C(C=CC(=C3)OCCCN)N4C2=NC=C4

DOS

IR

Vibrations