Geometry & MOs

Info

ID:	272798
PubChem CID:	103759129
Reduced:	BrN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	330.161329
ΔH_f, kcal/mol:	2.01
Dipole, Da:	4.11
IP(EA), eV:	-10.47(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(CC#N)C(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations