Geometry & MOs

Info

ID:	326152
PubChem CID:	126686767
Reduced:	ClFO2N7C22H25 (1)
Stoich.:	ABC2D7E22F25 (1)
Weight, g/mol:	277.053051
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	3.46
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C[C@H](CC(C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl)NC(=O)N5CCOCC5

DOS

IR

Vibrations