Geometry & MOs

Info

ID:	446188
PubChem CID:	135273027
Reduced:	N2O5C14H28 (1)
Stoich.:	A2B5C14D28 (1)
Weight, g/mol:	614.474421
ΔH_f, kcal/mol:	-233.84
Dipole, Da:	3.75
IP(EA), eV:	-8.78(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-[[4-(butylamino)-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidin-2-yl]amino]butyl]-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)OCCOCCOCCO

DOS

IR

Vibrations