Geometry & MOs

Info

ID:	311730
PubChem CID:	126597585
Reduced:	O3N8H20C22 (1)
Stoich.:	A3B8C20D22 (1)
Weight, g/mol:	471.158579
ΔH_f, kcal/mol:	52.89
Dipole, Da:	7.2
IP(EA), eV:	-8.58(-0.95)
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-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=CC=CC=C54)C

DOS

IR

Vibrations