Geometry & MOs

Info

ID:	313700
PubChem CID:	126617302
Reduced:	ON10C20H24 (1)
Stoich.:	AB10C20D24 (1)
Weight, g/mol:	371.152829
ΔH_f, kcal/mol:	115.42
Dipole, Da:	7.82
IP(EA), eV:	-8.55(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCN2C=C(C=N2)C3=CN(N=C3N)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations