Geometry & MOs

Info

ID:	202430
PubChem CID:	79671743
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	9.2
Dipole, Da:	3.01
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(butan-2-ylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CNCC2=C1C(=C(S2)N3CCOCC3)C#N

DOS

IR

Vibrations