Geometry & MOs

Info

ID:	293574
PubChem CID:	117393518
Reduced:	FO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	256.074702
ΔH_f, kcal/mol:	-231.88
Dipole, Da:	4.04
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations