Geometry & MOs

Info

ID:	341137
PubChem CID:	127263572
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	310.164105
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	3.39
IP(EA), eV:	-9.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;(2S)-piperidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1C2CN(CC2N1)C(=O)OCC3=CC=CC=C3.Cl

DOS

IR

Vibrations