Geometry & MOs

Info

ID:	52194
PubChem CID:	12014996
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	2.91
IP(EA), eV:	-10.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4R)-3-ethenyl-5-oxo-1-azabicyclo[2.2.2]octane-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC12C=CC(=O)C3=C2N=CC=C3

DOS

IR

Vibrations