Geometry & MOs

Info

ID:	399830
PubChem CID:	135042972
Reduced:	O2H7C8 (1)
Stoich.:	A2B7C8 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.046525
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5S,8aR)-1-ethyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-5-yl]acetaldehyde

Drug info:

PubChemData

Smile

C=C1C=[C-]CC(=C1)C(=O)O

DOS

IR

Vibrations