Geometry & MOs

Info

ID:	431313
PubChem CID:	135171384
Reduced:	ClION4C16H18 (1)
Stoich.:	ABCD4E16F18 (1)
Weight, g/mol:	332.140389
ΔH_f, kcal/mol:	31.96
Dipole, Da:	4.59
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2,5-dimethyl-6-[4-(6-methylpyridin-3-yl)oxypiperidin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C)N2CCC(CC2)OC3=CN=C(C=C3)I

DOS

IR

Vibrations