Geometry & MOs

Info

ID:	311766
PubChem CID:	126597655
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	507.139735
ΔH_f, kcal/mol:	-22.65
Dipole, Da:	3.44
IP(EA), eV:	-8.62(-0.9)
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-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=NN2)C3=CN=C4C(=N3)C(=CN4)OC(=O)NC(C)(C)CO

DOS

IR

Vibrations