Geometry & MOs

Info

ID:	326270
PubChem CID:	126687259
Reduced:	FON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	245.107674
ΔH_f, kcal/mol:	-11.5
Dipole, Da:	3.74
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,4-dihydropyrimidin-6-amine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC[C@@H]1CNC2=NC(=NC=C2F)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations