Geometry & MOs

Info

ID:	319205
PubChem CID:	126655301
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	518.207782
ΔH_f, kcal/mol:	5.02
Dipole, Da:	3.3
IP(EA), eV:	-8.81(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=CC=NN2

DOS

IR

Vibrations