Geometry & MOs

Info

ID:	373660
PubChem CID:	131318370
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	3.15
IP(EA), eV:	-8.12(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-4-hydroxy-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)O)C)OCC

DOS

IR

Vibrations