Geometry & MOs

Info

ID:	211654
PubChem CID:	81049161
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	2.61
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CCNCCC1=COC2=C1C=CC=C2Cl

DOS

IR

Vibrations