Geometry & MOs

Info

ID:	127335
PubChem CID:	50998893
Reduced:	ON2C4H9 (2)
Stoich.:	AB2C4D9 (2)
Weight, g/mol:	336.08524
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	5.38
IP(EA), eV:	-9.41(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O.CN1CCN(CC1)C(=N)N

DOS

IR

Vibrations