Geometry & MOs

Info

ID:	261785
PubChem CID:	103250564
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	5.48
IP(EA), eV:	-9.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-methoxypyridin-3-yl)methylamino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNCC2=CC=C(S2)C(=O)O

DOS

IR

Vibrations