Geometry & MOs

Info

ID:	26956
PubChem CID:	805249
Reduced:	SN2O4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	4.56
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)CC2=CC=CS2)OC

DOS

IR

Vibrations