Geometry & MOs

Info

ID:	326138
PubChem CID:	126686697
Reduced:	F2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	345.115651
ΔH_f, kcal/mol:	-178.75
Dipole, Da:	6.9
IP(EA), eV:	-9.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(3-methylcyclopentyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(COC1=NC=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)C(=O)NC)(F)F

DOS

IR

Vibrations