Geometry & MOs

Info

ID:	324471
PubChem CID:	126677729
Reduced:	OF3N3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	502.212867
ΔH_f, kcal/mol:	-142.92
Dipole, Da:	0.3
IP(EA), eV:	-9.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-(3-piperidin-1-ylpyrazol-1-yl)-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C=N1)CCC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations