Geometry & MOs

Info

ID:	445052
PubChem CID:	135264396
Reduced:	SN3H19C30 (1)
Stoich.:	AB3C19D30 (1)
Weight, g/mol:	454.125218
ΔH_f, kcal/mol:	175.92
Dipole, Da:	3.3
IP(EA), eV:	-8.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2,6-dipyridin-2-ylpyridin-4-yl)thieno[3,2-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)SC=C6)C7=CC=CC=C7

DOS

IR

Vibrations