Geometry & MOs

Info

ID:	204512
PubChem CID:	79975184
Reduced:	OSN3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	223.077933
ΔH_f, kcal/mol:	40.99
Dipole, Da:	4.3
IP(EA), eV:	-9.42(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C2=NC(=NO2)CN

DOS

IR

Vibrations