Geometry & MOs

Info

ID:	250592
PubChem CID:	103097729
Reduced:	F2N3O3H9C13 (1)
Stoich.:	A2B3C3D9E13 (1)
Weight, g/mol:	252.082267
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	6.34
IP(EA), eV:	-9.51(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluoropyridin-3-yl)-3-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NC2=C(N=C(C=C2)F)F)[N+](=O)[O-]

DOS

IR

Vibrations