Geometry & MOs

Info

ID:	397317
PubChem CID:	135030032
Reduced:	NO2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	3.42
IP(EA), eV:	-9.4(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,11bS)-2-methyl-3,6,7,11b-tetrahydro-2H-[1,3]oxazino[2,3-a]isoquinolin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)N2CCC([C@@H]2O1)(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations