Geometry & MOs

Info

ID:	399534
PubChem CID:	135040778
Reduced:	FO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-81.54
Dipole, Da:	2.72
IP(EA), eV:	-9.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,10aS)-3-tert-butyl-3,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-1-one

Drug info:

PubChemData

Smile

C[C@@]([C@H](C1=CC=CC=C1)O)(C(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations