Geometry & MOs

Info

ID:	358790
PubChem CID:	127296656
Reduced:	OF3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	6.04
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)-1-(4-methylidenepiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC=C(C=C2)C(F)(F)F)C)CC(=O)N3CCC(=C)CC3

DOS

IR

Vibrations