Geometry & MOs

Info

ID:	176467
PubChem CID:	76053895
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	1.63
IP(EA), eV:	-9.23(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethyl-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3aH-pyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC(CNC(=O)C(C)N1CCC(C1)O)C2=CC=CC=C2

DOS

IR

Vibrations