Geometry & MOs

Info

ID:	262107
PubChem CID:	103270911
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	328.272593
ΔH_f, kcal/mol:	-53.0
Dipole, Da:	7.45
IP(EA), eV:	-9.65(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CC1CNCC2=C(C=C(C=C2)[N+](=O)[O-])Cl)O

DOS

IR

Vibrations