Geometry & MOs

Info

ID:	293423
PubChem CID:	117388374
Reduced:	O3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	254.079038
ΔH_f, kcal/mol:	-231.82
Dipole, Da:	5.02
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-(6-methoxy-4H-1,3-benzodioxin-5-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=C(C=C1O)OCCO2)O

DOS

IR

Vibrations