Geometry & MOs

Info

ID:	77563
PubChem CID:	49655465
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	393.110486
ΔH_f, kcal/mol:	-5.07
Dipole, Da:	8.21
IP(EA), eV:	-8.88(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C=NN=N4)OC

DOS

IR

Vibrations