Geometry & MOs

Info

ID:	319202
PubChem CID:	126655297
Reduced:	ON3C5H9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	547.234331
ΔH_f, kcal/mol:	-1.71
Dipole, Da:	4.07
IP(EA), eV:	-8.93(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(NN=C1)NCCO

DOS

IR

Vibrations