Geometry & MOs

Info

ID:	311768
PubChem CID:	126597658
Reduced:	FO2N3C11H12 (2)
Stoich.:	AB2C3D11E12 (2)
Weight, g/mol:	507.223017
ΔH_f, kcal/mol:	-174.09
Dipole, Da:	2.83
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=C(C=C4)OC(F)F)CCCO

DOS

IR

Vibrations