Geometry & MOs

Info

ID:	375367
PubChem CID:	131500110
Reduced:	NOF2H2C4 (2)
Stoich.:	ABC2D2E4 (2)
Weight, g/mol:	236.02089
ΔH_f, kcal/mol:	-220.47
Dipole, Da:	5.32
IP(EA), eV:	-10.28(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-fluoro-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)CC#N)F)OC(F)(F)F)O

DOS

IR

Vibrations