Geometry & MOs

Info

ID:	321597
PubChem CID:	126666662
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	250.020141
ΔH_f, kcal/mol:	-13.0
Dipole, Da:	6.23
IP(EA), eV:	-9.43(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCO1)NC2=C3C(=NC=C2[N+](=O)[O-])C=CC=N3

DOS

IR

Vibrations