Geometry & MOs

Info

ID:	203818
PubChem CID:	79874532
Reduced:	O2F3N3H12C13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	301.067426
ΔH_f, kcal/mol:	-190.29
Dipole, Da:	3.68
IP(EA), eV:	-9.88(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-cyano-6-(trifluoromethyl)pyridin-2-yl]amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)NC2=C(C=CC(=N2)C(F)(F)F)C#N)C(=O)O

DOS

IR

Vibrations