Geometry & MOs

Info

ID:	405597
PubChem CID:	135074607
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	248.084872
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	4.17
IP(EA), eV:	-9.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(1-fluoro-4-phenylbut-3-yn-2-yl)oxyprop-2-enoate

Drug info:

PubChemData

Smile

C=CCC1=C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C(C1=O)(CC=C)CC=C)O

DOS

IR

Vibrations