Geometry & MOs

Info

ID:	288954
PubChem CID:	104328917
Reduced:	FNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	284.096106
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	1.97
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[6-(3-hydroxyprop-1-ynyl)pyridin-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2=CC=CC=C2C#CCO

DOS

IR

Vibrations