Geometry & MOs

Info

ID:	311745
PubChem CID:	126597619
Reduced:	F3O4N6H19C20 (1)
Stoich.:	A3B4C6D19E20 (1)
Weight, g/mol:	382.155352
ΔH_f, kcal/mol:	-217.18
Dipole, Da:	2.29
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-butan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations