Geometry & MOs

Info

ID:	416063
PubChem CID:	135089068
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	16.66
Dipole, Da:	1.76
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations