Geometry & MOs

Info

ID:	122592
PubChem CID:	50813687
Reduced:	SO2N4H24C28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	433.186238
ΔH_f, kcal/mol:	67.18
Dipole, Da:	6.9
IP(EA), eV:	-8.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-4-propoxyphenyl)-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

CC1=CC=CC=C1COC2=CC=CC(=C2)C3CC(=O)N=C4C3=C(NN4C5=NC6=CC=CC=C6S5)C

DOS

IR

Vibrations