Geometry & MOs

Info

ID:	352518
PubChem CID:	127283606
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-20.69
Dipole, Da:	3.33
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCC(=C)CC2

DOS

IR

Vibrations