Geometry & MOs

Info

ID:	321551
PubChem CID:	126666584
Reduced:	ClFN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	196.048407
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	4.85
IP(EA), eV:	-8.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylpyrazin-2-yl)propanedioic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H]1F)NC2=C3C=C(C=CC3=NC=C2N)Cl

DOS

IR

Vibrations