Geometry & MOs

Info

ID:	383881
PubChem CID:	134975910
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	2.91
IP(EA), eV:	-9.35(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C[C@@H](C)CC1=CC=CC=C1

DOS

IR

Vibrations