Geometry & MOs

Info

ID:	427764
PubChem CID:	135162289
Reduced:	FON5H10C15 (1)
Stoich.:	ABC5D10E15 (1)
Weight, g/mol:	417.173166
ΔH_f, kcal/mol:	39.39
Dipole, Da:	8.23
IP(EA), eV:	-9.02(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloroanilino)-1-[3-(3-fluoroazetidin-1-yl)hexyl]-2H-pyrazolo[4,3-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1=CC2=NC=CC(=C2C=C1NC3=C4C(=CC=NC4=O)NN3)F

DOS

IR

Vibrations