Geometry & MOs

Info

ID:	293422
PubChem CID:	117388373
Reduced:	O3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	254.079038
ΔH_f, kcal/mol:	-232.31
Dipole, Da:	1.73
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=CC2=C1OCCO2)O)O

DOS

IR

Vibrations