Geometry & MOs

Info

ID:	144808
PubChem CID:	53415776
Reduced:	ClNF3C5H9 (1)
Stoich.:	ABC3D5E9 (1)
Weight, g/mol:	274.066365
ΔH_f, kcal/mol:	-196.33
Dipole, Da:	3.61
IP(EA), eV:	-10.04(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-3-(3-methylthiophen-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)(C(F)(F)F)N.Cl

DOS

IR

Vibrations