Geometry & MOs

Info

ID:	272532
PubChem CID:	103744586
Reduced:	OF3N3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	5.45
IP(EA), eV:	-9.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations