Geometry & MOs

Info

ID:	24557
PubChem CID:	611038
Reduced:	OSN3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	211.077933
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	4.32
IP(EA), eV:	-8.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC(=C2C(=O)N)N

DOS

IR

Vibrations