Geometry & MOs

Info

ID:	373081
PubChem CID:	131309560
Reduced:	N2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	40.67
Dipole, Da:	3.71
IP(EA), eV:	-8.37(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-2-hydroxy-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1)C=CC(=C2)CC#N

DOS

IR

Vibrations