Geometry & MOs

Info

ID:	342559
PubChem CID:	127265714
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	248.096106
ΔH_f, kcal/mol:	-65.07
Dipole, Da:	5.11
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[1-(oxolan-2-yl)prop-2-ynyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CNC(=O)C=CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations