Geometry & MOs

Info

ID:	399786
PubChem CID:	135042661
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	0.13
IP(EA), eV:	-9.03(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,10S)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4-diene-6,12-dione

Drug info:

PubChemData

Smile

COC1=NN=C(C(=C1)C2=CC(=NN=C2OC)OC)OC

DOS

IR

Vibrations