Geometry & MOs

Info

ID:	426941
PubChem CID:	135154665
Reduced:	ClO4N10C32H41 (1)
Stoich.:	AB4C10D32E41 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	6.57
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)NN.CC1=CN=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)Cl

DOS

IR

Vibrations