Geometry & MOs

Info

ID:	261653
PubChem CID:	103243869
Reduced:	BrNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-144.69
Dipole, Da:	5.28
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methoxyethoxy)ethylamino]methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

COCCOCCNCC1=C(C=C(C=C1)C(=O)O)Br

DOS

IR

Vibrations