Geometry & MOs

Info

ID:	352930
PubChem CID:	127284020
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-126.5
Dipole, Da:	6.67
IP(EA), eV:	-9.18(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-[3-(4-methylidenepiperidin-1-yl)-3-oxopropyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(=C)CC1)C2CCS(=O)(=O)C2

DOS

IR

Vibrations