Geometry & MOs

Info

ID:	122515
PubChem CID:	50810138
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	379.108754
ΔH_f, kcal/mol:	-61.75
Dipole, Da:	4.84
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorobenzoyl)-3-methyl-1-(4-methylphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=NC(=O)CC(C3=C(N2)C)C(=O)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations