Geometry & MOs

Info

ID:	373021
PubChem CID:	131308730
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	226.066365
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	1.86
IP(EA), eV:	-8.13(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-hydroxy-5,6-dihydro-4H-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C=C(N(C2=CC=C1)C)C(CNC)O

DOS

IR

Vibrations