Geometry & MOs

Info

ID:	48992
PubChem CID:	11528592
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	1.16
IP(EA), eV:	-10.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,5S)-4-oxo-1-azabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\C1CCCCCCC1

DOS

IR

Vibrations