Geometry & MOs

Info

ID:	257623
PubChem CID:	103147448
Reduced:	O2F3N3C13H14 (1)
Stoich.:	A2B3C3D13E14 (1)
Weight, g/mol:	196.071114
ΔH_f, kcal/mol:	-166.22
Dipole, Da:	6.85
IP(EA), eV:	-9.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CN=N2)C(CCOCC(F)(F)F)O

DOS

IR

Vibrations