Geometry & MOs

Info

ID:	202442
PubChem CID:	79672330
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	2.52
IP(EA), eV:	-8.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1(CN(C1)C2=C(C3=C(S2)CNCC3)C#N)OC

DOS

IR

Vibrations