Geometry & MOs

Info

ID:	311788
PubChem CID:	126597700
Reduced:	O2N7C18H19 (1)
Stoich.:	A2B7C18D19 (1)
Weight, g/mol:	506.158164
ΔH_f, kcal/mol:	35.85
Dipole, Da:	3.63
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-propylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC=N4)C

DOS

IR

Vibrations