Geometry & MOs

Info

ID:	408954
PubChem CID:	135081726
Reduced:	SeN4H8C13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	173.02992
ΔH_f, kcal/mol:	122.04
Dipole, Da:	1.25
IP(EA), eV:	-8.49(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-thia-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3N=CN=C4N3C(=NC=C4)[Se]2

DOS

IR

Vibrations