Geometry & MOs

Info

ID:	52037
PubChem CID:	12014811
Reduced:	O2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	10.92
Dipole, Da:	2.01
IP(EA), eV:	-10.78(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-methoxy-2-oxo-1-phenylethyl] 2-prop-2-ynylpent-4-ynoate

Drug info:

PubChemData

Smile

COC(=O)C(CC#C)CC#C

DOS

IR

Vibrations