Geometry & MOs

Info

ID:	272531
PubChem CID:	103744580
Reduced:	OF3N3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	271.093247
ΔH_f, kcal/mol:	-114.09
Dipole, Da:	1.0
IP(EA), eV:	-9.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-oxadiazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CNCCC2=NC=NO2

DOS

IR

Vibrations