Geometry & MOs

Info

ID:	401727
PubChem CID:	135052292
Reduced:	Cl2N3H9C15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	110.22
Dipole, Da:	3.79
IP(EA), eV:	-9.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]-4-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C#N)C(C#N)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations