Geometry & MOs

Info

ID:	177726
PubChem CID:	76221186
Reduced:	OSN2C6H6 (1)
Stoich.:	ABC2D6E6 (1)
Weight, g/mol:	166.054241
ΔH_f, kcal/mol:	8.19
Dipole, Da:	1.95
IP(EA), eV:	-9.86(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoropyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=C(SC=N1)C=CC(=O)N

DOS

IR

Vibrations