Geometry & MOs

Info

ID:	380228
PubChem CID:	134970604
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	198.071451
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	2.94
IP(EA), eV:	-9.5(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethyl-5-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC12OCC(CO2)(C)C

DOS

IR

Vibrations