Geometry & MOs

Info

ID:	311775
PubChem CID:	126597670
Reduced:	FO3N8C27H27 (1)
Stoich.:	AB3C8D27E27 (1)
Weight, g/mol:	478.16325
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	2.41
IP(EA), eV:	-8.66(-1.0)
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-[1-(3-cyanopyrrolidin-1-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)CCN6CCOCC6

DOS

IR

Vibrations