Geometry & MOs

Info

ID:	311736
PubChem CID:	126597596
Reduced:	FO3N8H17C21 (1)
Stoich.:	AB3C8D17E21 (1)
Weight, g/mol:	485.137843
ΔH_f, kcal/mol:	4.84
Dipole, Da:	4.94
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxopropyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=C5C=CC(=CN5C=N4)F

DOS

IR

Vibrations