Geometry & MOs

Info

ID:	257526
PubChem CID:	103146815
Reduced:	O2F3N3C9H12 (1)
Stoich.:	A2B3C3D9E12 (1)
Weight, g/mol:	252.043185
ΔH_f, kcal/mol:	-197.04
Dipole, Da:	3.09
IP(EA), eV:	-10.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NC=N1)CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations