Geometry & MOs

Info

ID:	220358
PubChem CID:	85177334
Reduced:	FN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	5.18
IP(EA), eV:	-10.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate

Drug info:

PubChemData

Smile

C1CNC(N(C1=O)CC(=O)O)C2=CC=C(C=C2)F

DOS

IR

Vibrations