Geometry & MOs

Info

ID:	145298
PubChem CID:	53493926
Reduced:	ClSO2N3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	4.62
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methylamino)ethylamino]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(OC(=N2)C3CCOCC3)SC4=NC=C(C=C4)Cl

DOS

IR

Vibrations