Geometry & MOs

Info

ID:	52116
PubChem CID:	12014901
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-266.69
Dipole, Da:	3.08
IP(EA), eV:	-9.85(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,10bS)-2-ethoxy-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]([C@]1(CC[C@@H](O1)C(C)(C)O)C)O

DOS

IR

Vibrations