Geometry & MOs

Info

ID:	122532
PubChem CID:	50810871
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	10.28
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-methyl-4-(naphthalene-1-carbonyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)C2CC(=O)N=C3C2=C(NN3C4=CC(=CC(=C4)C)C)C

DOS

IR

Vibrations