Geometry & MOs

Info

ID:	425508
PubChem CID:	135126579
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	2.11
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(5-chloropyridin-2-yl)piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=NC=C(C=C2)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations