Geometry & MOs

Info

ID:	394452
PubChem CID:	135023016
Reduced:	ON5H17C22 (1)
Stoich.:	AB5C17D22 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	132.03
Dipole, Da:	6.6
IP(EA), eV:	-8.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-methyl-7-oxospiro[bicyclo[2.2.2]oct-5-ene-8,2'-oxirane]-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN(N=N2)C3=CC=CC=C3C4=CN5C=CC=CC5=N4

DOS

IR

Vibrations