Geometry & MOs

Info

ID:	280581
PubChem CID:	103849997
Reduced:	ClFNO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	249.080121
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	3.56
IP(EA), eV:	-9.25(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-4-formylphenoxy)-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C=C2)C=O)F)Cl

DOS

IR

Vibrations