Geometry & MOs

Info

ID:	122514
PubChem CID:	50810137
Reduced:	ClO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	393.14887
ΔH_f, kcal/mol:	8.37
Dipole, Da:	5.48
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C3=NC(=O)CC(C3=C(N2)C)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations