Geometry & MOs

Info

ID:	333460
PubChem CID:	127252012
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	403.167811
ΔH_f, kcal/mol:	-30.64
Dipole, Da:	7.72
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[6-[(3-methylpyridin-2-yl)amino]pyridin-3-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCCCC2C3=CN=C(C=C3)NC4=NC=CN=C4

DOS

IR

Vibrations