Geometry & MOs

Info

ID:	289095
PubChem CID:	104335471
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	314.187339
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	4.04
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)N2CCCCCC2

DOS

IR

Vibrations