Geometry & MOs

Info

ID:	210987
PubChem CID:	80880961
Reduced:	ION5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	297.043567
ΔH_f, kcal/mol:	52.89
Dipole, Da:	4.75
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dichlorophenoxy)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=NC(=N2)N)OC3=CC(=CC=C3)I

DOS

IR

Vibrations