Geometry & MOs

Info

ID:	122516
PubChem CID:	50810139
Reduced:	ClO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	399.080826
ΔH_f, kcal/mol:	12.22
Dipole, Da:	5.72
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chlorothiophene-2-carbonyl)-1-(2,3-dimethylphenyl)-3-methyl-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(=CC=C4)Cl

DOS

IR

Vibrations