Geometry & MOs

Info

ID:	210187
PubChem CID:	80772283
Reduced:	OCl2N5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	297.162332
ΔH_f, kcal/mol:	-3.97
Dipole, Da:	3.2
IP(EA), eV:	-9.41(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-2-methylsulfanyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NCCC2=C(C=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations