Geometry & MOs

Info

ID:	257541
PubChem CID:	103146910
Reduced:	N2O2F3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	180.039814
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	4.05
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2,2-trifluoroethoxy)pent-1-yn-3-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations