Geometry & MOs

Info

ID:	122629
PubChem CID:	50815387
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	5.44
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-butoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCCOC1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)O

DOS

IR

Vibrations