Geometry & MOs

Info

ID:	210430
PubChem CID:	80805745
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	296.167083
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	4.02
IP(EA), eV:	-8.36(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-methylsulfanyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)C2=NC(=NC=C2C)NC

DOS

IR

Vibrations