Geometry & MOs

Info

ID:	375371
PubChem CID:	131500121
Reduced:	NOF2H2C4 (2)
Stoich.:	ABC2D2E4 (2)
Weight, g/mol:	236.02089
ΔH_f, kcal/mol:	-226.62
Dipole, Da:	5.33
IP(EA), eV:	-9.85(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1F)OC(F)(F)F)CC#N)O

DOS

IR

Vibrations