Geometry & MOs

Info

ID:	35798
PubChem CID:	7980337
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	394.121652
ΔH_f, kcal/mol:	-128.72
Dipole, Da:	4.3
IP(EA), eV:	-9.02(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)OC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations