Geometry & MOs

Info

ID:	143448
PubChem CID:	53210457
Reduced:	ClSO2N3C28H30 (1)
Stoich.:	ABC2D3E28F30 (1)
Weight, g/mol:	341.073118
ΔH_f, kcal/mol:	-22.47
Dipole, Da:	6.26
IP(EA), eV:	-8.53(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)C3=CC4=C(S3)N=C5C(=C4)C=CC(=C5Cl)OC

DOS

IR

Vibrations