Geometry & MOs

Info

ID:	449693
PubChem CID:	135300682
Reduced:	F2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	232.054715
ΔH_f, kcal/mol:	-276.27
Dipole, Da:	1.72
IP(EA), eV:	-11.14(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-5-(difluoromethyl)-1-ethoxycarbonylcyclopent-2-yne-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC(=O)C1(CC1C(F)F)C(=O)OCC

DOS

IR

Vibrations