Geometry & MOs

Info

ID:	258988
PubChem CID:	103157807
Reduced:	NO2F3C12H22 (1)
Stoich.:	AB2C3D12E22 (1)
Weight, g/mol:	269.185175
ΔH_f, kcal/mol:	-273.53
Dipole, Da:	4.4
IP(EA), eV:	-9.4(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCCOCC(F)(F)F)O

DOS

IR

Vibrations