Geometry & MOs

Info

ID:	143449
PubChem CID:	53210829
Reduced:	ClFON3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	341.073118
ΔH_f, kcal/mol:	16.74
Dipole, Da:	7.16
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1C(C2=CNN(C2=NC1=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations