Geometry & MOs

Info

ID:	216403
PubChem CID:	85086177
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	264.1701
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	6.79
IP(EA), eV:	-8.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluorotetradec-3-en-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC2=NN(C(=S)O2)CO

DOS

IR

Vibrations