Geometry & MOs

Info

ID:	79773
PubChem CID:	49830310
Reduced:	FON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	427.188736
ΔH_f, kcal/mol:	18.03
Dipole, Da:	5.43
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=NC(=CC(=C2)C3=CNC4=C3C=CC=N4)F

DOS

IR

Vibrations