Geometry & MOs

Info

ID:	52698
PubChem CID:	12015712
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	4.93
IP(EA), eV:	-9.51(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10bR)-1-butyl-8,9-dimethoxy-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H]2C3=CC=CC=C3CCN2OC1=O

DOS

IR

Vibrations