Geometry & MOs

Info

ID:	271364
PubChem CID:	103669817
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-75.73
Dipole, Da:	3.72
IP(EA), eV:	-9.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(5-nitrothiophen-3-yl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCC2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations