Geometry & MOs

Info

ID:	352502
PubChem CID:	127283590
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	51.55
Dipole, Da:	4.49
IP(EA), eV:	-9.32(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)CC2=NN3C=CC=NC3=N2

DOS

IR

Vibrations