Geometry & MOs

Info

ID:	287619
PubChem CID:	104248966
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	279.119461
ΔH_f, kcal/mol:	-70.69
Dipole, Da:	3.71
IP(EA), eV:	-9.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

Drug info:

PubChemData

Smile

CCCC(CCC1=NC(=NO1)CC2CCCCO2)CCN

DOS

IR

Vibrations