Geometry & MOs

Info

ID:	222432
PubChem CID:	85300726
Reduced:	O7C16H24 (1)
Stoich.:	A7B16C24 (1)
Weight, g/mol:	328.188589
ΔH_f, kcal/mol:	-310.89
Dipole, Da:	4.33
IP(EA), eV:	-9.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-acetyloxycyclopent-2-en-1-yl)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)CO)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations