Geometry & MOs

Info

ID:	37583
PubChem CID:	8022450
Reduced:	O6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	349.139961
ΔH_f, kcal/mol:	-251.98
Dipole, Da:	6.43
IP(EA), eV:	-9.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,5S,6R,7R)-3-(1-ethoxycarbonylpiperidin-4-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)O)O)C

DOS

IR

Vibrations