Geometry & MOs

Info

ID:	393694
PubChem CID:	135021484
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-121.81
Dipole, Da:	6.02
IP(EA), eV:	-9.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[1,6,7,11b-tetrahydro-[1,3]oxazino[4,3-a]isoquinoline-2,1'-cyclohexane]-4-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CC2=CC=CC=C2[C@@H]3N1C(=O)O[C@@H](C3)C4=CC=CC=C4

DOS

IR

Vibrations