Geometry & MOs

Info

ID:	202380
PubChem CID:	79666070
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	409.04179
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	1.63
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)-4-ethylmorpholine

Drug info:

PubChemData

Smile

CCN1CCOC(C1)C2=NC3=C(CCC3)C(=N2)Cl

DOS

IR

Vibrations