Geometry & MOs

Info

ID:	7975
PubChem CID:	74555
Reduced:	OH8C10 (1)
Stoich.:	AB8C10 (1)
Weight, g/mol:	144.057515
ΔH_f, kcal/mol:	36.94
Dipole, Da:	4.28
IP(EA), eV:	-9.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylbut-3-yn-2-one

Drug info:

PubChemData

Smile

CC(=O)C#CC1=CC=CC=C1

DOS

IR

Vibrations