Geometry & MOs

Info

ID:	383837
PubChem CID:	134975803
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	12.19
Dipole, Da:	1.45
IP(EA), eV:	-8.51(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8aS)-1-tert-butyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one

Drug info:

PubChemData

Smile

CN1CCC[C@H]1CC2=CC=CC=C2

DOS

IR

Vibrations