Geometry & MOs

Info

ID:	271109
PubChem CID:	103643571
Reduced:	FON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	242.093439
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	3.25
IP(EA), eV:	-8.58(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1CCCN(C1)C2=NC(=CC=C2)F

DOS

IR

Vibrations