Geometry & MOs

Info

ID:	406242
PubChem CID:	135076991
Reduced:	O3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	286.96156
ΔH_f, kcal/mol:	-280.72
Dipole, Da:	1.56
IP(EA), eV:	-10.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC(=O)O[C@@H]1CC[C@@H](C=C1)OC(=O)OC(C)C

DOS

IR

Vibrations