Geometry & MOs

Info

ID:	284908
PubChem CID:	104082381
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	242.097666
ΔH_f, kcal/mol:	-129.5
Dipole, Da:	5.72
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-thiophen-2-ylethoxy)hexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)OC1=C(C=C(C=C1)C#N)OCC

DOS

IR

Vibrations