Geometry & MOs

Info

ID:	268348
PubChem CID:	103599008
Reduced:	FN3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	353.092417
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	2.06
IP(EA), eV:	-9.91(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-(2-pyrazol-1-ylpyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)N)CNC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations