Geometry & MOs

Info

ID:	209080
PubChem CID:	80620661
Reduced:	IOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	81.54
Dipole, Da:	6.77
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1H-indol-5-yl)-3-(thian-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC1NCC2=NN=C(S2)OC3=CC(=CC=C3)I

DOS

IR

Vibrations