Geometry & MOs

Info

ID:	212584
PubChem CID:	81061092
Reduced:	SO2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-10.4
Dipole, Da:	8.04
IP(EA), eV:	-9.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-cyano-2,6-dimethylpyridin-4-yl)piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)C2=NC(=CS2)C(=O)O

DOS

IR

Vibrations