Geometry & MOs

Info

ID:	406823
PubChem CID:	135078724
Reduced:	NSH13C18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	244.053572
ΔH_f, kcal/mol:	86.32
Dipole, Da:	1.71
IP(EA), eV:	-8.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-one

Drug info:

PubChemData

Smile

C1C(=NC2=CC=CC=C2S1)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations