Geometry & MOs

Info

ID:	290061
PubChem CID:	104405133
Reduced:	ClON4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	3.93
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-3-methylpyridin-2-yl)amino]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC2=C(C=CC(=N2)Cl)N

DOS

IR

Vibrations