Geometry & MOs

Info

ID:	212613
PubChem CID:	81061197
Reduced:	Cl2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	40.45
Dipole, Da:	5.01
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-cyano-2,6-dimethylpyridin-4-yl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations