Geometry & MOs

Info

ID:	290060
PubChem CID:	104405112
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	282.124739
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	3.14
IP(EA), eV:	-8.58(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-6-chloropyridin-2-yl)amino]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC2=C(C=C(C=C2)Cl)N

DOS

IR

Vibrations