Geometry & MOs

Info

ID:	129235
PubChem CID:	51072021
Reduced:	ClON3H16C22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	280.059025
ΔH_f, kcal/mol:	73.93
Dipole, Da:	5.68
IP(EA), eV:	-9.02(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-piperidin-3-yloxy-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=CC(=C2)NC3=CC=C(C=C3)C#N)Cl)C)C#N

DOS

IR

Vibrations