Geometry & MOs

Info

ID:	420355
PubChem CID:	135112674
Reduced:	FN5H20C22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	297.196489
ΔH_f, kcal/mol:	68.64
Dipole, Da:	3.4
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=C(N2)C=C(C=C3)F)C4=NN=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations