Geometry & MOs

Info

ID:	132768
PubChem CID:	51416680
Reduced:	ON2H26C27 (1)
Stoich.:	AB2C26D27 (1)
Weight, g/mol:	174.962053
ΔH_f, kcal/mol:	46.9
Dipole, Da:	2.38
IP(EA), eV:	-8.53(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-chloro-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CC1)N3[C@H](CC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6O2

DOS

IR

Vibrations