Geometry & MOs

Info

ID:	167425
PubChem CID:	74827399
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	-59.4
Dipole, Da:	7.05
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(6-oxo-3H-pyridazin-3-yl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C3C(C(=O)N(C3C4=CC(=C(C=C4)O)OC)C5=CC=CC=C5)NN2

DOS

IR

Vibrations