Geometry & MOs

Info

ID:	319170
PubChem CID:	126655254
Reduced:	FO2N6H15C21 (1)
Stoich.:	AB2C6D15E21 (1)
Weight, g/mol:	448.165917
ΔH_f, kcal/mol:	18.28
Dipole, Da:	3.72
IP(EA), eV:	-8.82(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[4-[3-[(3S,4R)-4-hydroxy-3-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations