Geometry & MOs

Info

ID:	408285
PubChem CID:	135081049
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	3.53
IP(EA), eV:	-8.78(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-acetyl-4H-thieno[3,2-b]pyrrole-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C[C@H]1C2=CC=C(C=C2)OC

DOS

IR

Vibrations