Geometry & MOs

Info

ID:	257764
PubChem CID:	103148516
Reduced:	NOF3C11H22 (1)
Stoich.:	ABC3D11E22 (1)
Weight, g/mol:	237.134049
ΔH_f, kcal/mol:	-239.32
Dipole, Da:	3.01
IP(EA), eV:	-8.78(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(2,2,2-trifluoroethoxy)hept-5-yn-3-amine

Drug info:

PubChemData

Smile

CCCCC(CCOCC(F)(F)F)NCC

DOS

IR

Vibrations