Geometry & MOs

Info

ID:	411558
PubChem CID:	135084390
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	184.088815
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	2.42
IP(EA), eV:	-10.05(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-phenylethynyl)pent-3-en-2-one

Drug info:

PubChemData

Smile

CCCC(C(=O)C)C(=O)OCCC=C=C

DOS

IR

Vibrations