Geometry & MOs

Info

ID:	339797
PubChem CID:	127261806
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	13.94
Dipole, Da:	3.69
IP(EA), eV:	-8.99(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aS)-3a-methyl-2-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine

Drug info:

PubChemData

Smile

C1C[C@]2(C[C@@H](ON2OC1)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations