Geometry & MOs

Info

ID:	47905
PubChem CID:	10535789
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	194.00132
ΔH_f, kcal/mol:	-32.58
Dipole, Da:	2.7
IP(EA), eV:	-8.7(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCNCCC1=CC=CC=C1OC

DOS

IR

Vibrations