Geometry & MOs

Info

ID:	211708
PubChem CID:	81050005
Reduced:	ClNF2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	3.77
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(C=C1)F)C2=C(C=C(C(=C2)C)F)Cl

DOS

IR

Vibrations