Geometry & MOs

Info

ID:	209081
PubChem CID:	80620975
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	36.05
Dipole, Da:	3.59
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCSC(C1)C2=NOC(=N2)C3=CC4=C(C=C3)NCC4

DOS

IR

Vibrations