Geometry & MOs

Info

ID:	127747
PubChem CID:	51013610
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	5.22
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2R,4R,8R)-5-methyl-7-oxospiro[bicyclo[2.2.2]oct-5-ene-8,2'-oxirane]-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations