Geometry & MOs

Info

ID:	413589
PubChem CID:	135086538
Reduced:	IO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	322.141638
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	1.15
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-4-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]butanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2C[C@H](CC(O2)CCOCC3=CC=CC=C3)I

DOS

IR

Vibrations