Geometry & MOs

Info

ID:	17974
PubChem CID:	530691
Reduced:	O2F3H7C11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	228.039814
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	0.73
IP(EA), eV:	-10.62(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-3-yn-2-yl 2,3,4-trifluorobenzoate

Drug info:

PubChemData

Smile

CC(C#C)OC(=O)C1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations