Geometry & MOs

Info

ID:	276227
PubChem CID:	103821387
Reduced:	ClN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	368.10994
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	5.91
IP(EA), eV:	-9.3(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-bromo-3-methylanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1COCCCNC2=C(C=C(C=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations