Geometry & MOs

Info

ID:	222455
PubChem CID:	85300773
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	336.095751
ΔH_f, kcal/mol:	-145.2
Dipole, Da:	3.44
IP(EA), eV:	-9.51(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(4-nitrophenyl)-6-oxopiperidine-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCC(=O)CC1CCCCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations