Geometry & MOs

Info

ID:	289099
PubChem CID:	104335604
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	325.074868
ΔH_f, kcal/mol:	-9.07
Dipole, Da:	4.3
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(2-chlorophenyl)methyl]-2-(ethoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)Cl)NCC2CCC2

DOS

IR

Vibrations