Geometry & MOs

Info

ID:	68121
PubChem CID:	46507786
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	13.53
Dipole, Da:	6.99
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(methylamino)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NN)NC(=O)C2=CN=C(C=C2)NN

DOS

IR

Vibrations