Geometry & MOs

Info

ID:	410753
PubChem CID:	135083554
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	158.073165
ΔH_f, kcal/mol:	-140.09
Dipole, Da:	2.09
IP(EA), eV:	-8.86(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-1-phenylbut-3-yn-1-one

Drug info:

PubChemData

Smile

CCOC(=O)OC/C=C/C1=CC(=CC=C1)OC

DOS

IR

Vibrations