Geometry & MOs

Info

ID:	375369
PubChem CID:	131500115
Reduced:	NOF2H2C4 (2)
Stoich.:	ABC2D2E4 (2)
Weight, g/mol:	236.02089
ΔH_f, kcal/mol:	-239.62
Dipole, Da:	3.55
IP(EA), eV:	-9.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-5-hydroxy-2-(trifluoromethoxy)pyridin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(NC(=O)C(=C1CC#N)F)OC(F)(F)F

DOS

IR

Vibrations