Geometry & MOs

Info

ID:	411037
PubChem CID:	135083846
Reduced:	ON2Cl3H3C10 (1)
Stoich.:	AB2C3D3E10 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	50.82
Dipole, Da:	1.7
IP(EA), eV:	-9.68(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-but-2-ynoxy-1-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1N=C(OC=C2Cl)C#N)Cl)Cl

DOS

IR

Vibrations