Geometry & MOs

Info

ID:	228606
PubChem CID:	87565404
Reduced:	OSN4C12H14 (2)
Stoich.:	ABC4D12E14 (2)
Weight, g/mol:	545.197392
ΔH_f, kcal/mol:	76.68
Dipole, Da:	6.04
IP(EA), eV:	-8.55(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)SC4=NN=C5N4N=C(C=C5)OC6CCC6

DOS

IR

Vibrations