Geometry & MOs

Info

ID:	297387
PubChem CID:	117616652
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	445.222623
ΔH_f, kcal/mol:	-89.8
Dipole, Da:	4.47
IP(EA), eV:	-9.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(1-cyclohexyl-4-oxo-2H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations