Geometry & MOs

Info

ID:	206997
PubChem CID:	80330494
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-48.69
Dipole, Da:	7.06
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COCCN1C=C(C=N1)NCC2=CC(=CS2)C(=O)O

DOS

IR

Vibrations