Geometry & MOs

Info

ID:	284807
PubChem CID:	104072294
Reduced:	SO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	242.093439
ΔH_f, kcal/mol:	-85.12
Dipole, Da:	6.64
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(4-methoxypiperidin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COCCCSCC1=CC=C(O1)C=O

DOS

IR

Vibrations