Geometry & MOs

Info

ID:	413524
PubChem CID:	135086473
Reduced:	O5C10H16 (1)
Stoich.:	A5B10C16 (1)
Weight, g/mol:	308.125988
ΔH_f, kcal/mol:	-227.86
Dipole, Da:	2.15
IP(EA), eV:	-9.98(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(OCCO1)CC(=O)CC(=O)OC

DOS

IR

Vibrations