Geometry & MOs

Info

ID:	413590
PubChem CID:	135086539
Reduced:	O6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	350.172939
ΔH_f, kcal/mol:	-243.74
Dipole, Da:	4.28
IP(EA), eV:	-9.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CC1(OCCO1)COCC2=CC=CC=C2

DOS

IR

Vibrations