Geometry & MOs

Info

ID:	293296
PubChem CID:	117383176
Reduced:	FO3N4H9C10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	252.063388
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	3.88
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)[N+](=O)[O-])C2=C(NN=C2)N

DOS

IR

Vibrations