Geometry & MOs

Info

ID:	164365
PubChem CID:	74390146
Reduced:	FON2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	220.058303
ΔH_f, kcal/mol:	-77.6
Dipole, Da:	5.56
IP(EA), eV:	-8.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-hydroxy-1,4-dioxane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC(=C2)C3CCN=C4N3NC(C4)C5=CN=CC=C5)OC(F)F

DOS

IR

Vibrations