Geometry & MOs

Info

ID:	300236
PubChem CID:	121269907
Reduced:	NSO5F7H10C20 (1)
Stoich.:	ABC5D7E10F20 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-452.79
Dipole, Da:	2.47
IP(EA), eV:	-9.36(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-N-(6-pyrazol-1-ylpyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(=O)C2=C(C=CC(=C21)OC3=CC(=CC(=C3)C#N)F)S.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations