Geometry & MOs

Info

ID:	341052
PubChem CID:	127263487
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	229.059506
ΔH_f, kcal/mol:	-201.0
Dipole, Da:	2.51
IP(EA), eV:	-10.29(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-methylspiro[1,3-dithiolane-2,5'-2-azabicyclo[2.2.2]octane]-3'-one

Drug info:

PubChemData

Smile

CC12CCC(CC1=O)N(C2=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations