Geometry & MOs

Info

ID:	52117
PubChem CID:	12014903
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	1.05
IP(EA), eV:	-8.8(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@H]2C3=CC=CC=C3CCN2O1

DOS

IR

Vibrations