Geometry & MOs

Info

ID:	45540
PubChem CID:	10514705
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.081537
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	2.42
IP(EA), eV:	-9.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-chloro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pent-4-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations