Geometry & MOs

Info

ID:	275751
PubChem CID:	103817415
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	278.093439
ΔH_f, kcal/mol:	19.08
Dipole, Da:	2.91
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)NCCC2=CC=CC=N2)N

DOS

IR

Vibrations