Geometry & MOs

Info

ID:	289694
PubChem CID:	104367612
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	7.49
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-propylpiperidin-1-yl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)CN(C)C1=CSC(=C1)C(=O)O

DOS

IR

Vibrations