Geometry & MOs

Info

ID:	226926
PubChem CID:	87558982
Reduced:	OC23H36 (1)
Stoich.:	AB23C36 (1)
Weight, g/mol:	244.094688
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	1.74
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-4-(2-methylprop-2-enoyloxy)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC/C=C/C=C\C=C/C=C/C=C/C(=C/O)/C

DOS

IR

Vibrations