Geometry & MOs

Info

ID:	311799
PubChem CID:	126597719
Reduced:	FO2N6C21H23 (1)
Stoich.:	AB2C6D21E23 (1)
Weight, g/mol:	386.089416
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	1.94
IP(EA), eV:	-8.57(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(C)(C)C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)F)C

DOS

IR

Vibrations