Geometry & MOs

Info

ID:	41574
PubChem CID:	8146363
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	384.064363
ΔH_f, kcal/mol:	11.0
Dipole, Da:	1.99
IP(EA), eV:	-9.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)CN1C2=CC=CC=C2N=N1

DOS

IR

Vibrations