Geometry & MOs

Info

ID:	250461
PubChem CID:	103096811
Reduced:	BrN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	10.29
Dipole, Da:	4.98
IP(EA), eV:	-9.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNCC2=C(C=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations