Geometry & MOs

Info

ID:	1964
PubChem CID:	5438
Reduced:	SN3C8H8 (1)
Stoich.:	AB3C8D8 (1)
Weight, g/mol:	178.043893
ΔH_f, kcal/mol:	56.36
Dipole, Da:	3.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.153049
Charge, e:	1

Chem-info

IUPAC name:

[amino(thieno[2,3-b]pyridin-2-yl)methylidene]azanium

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC(=C2)C(=[NH2+])N

DOS

IR

Vibrations