Geometry & MOs

Info

ID:	261743
PubChem CID:	103248957
Reduced:	NO4C10H19 (1)
Stoich.:	AB4C10D19 (1)
Weight, g/mol:	313.078407
ΔH_f, kcal/mol:	-171.36
Dipole, Da:	3.52
IP(EA), eV:	-9.7(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=CCNCCOCCO)C(=O)O

DOS

IR

Vibrations