Geometry & MOs

Info

ID:	370704
PubChem CID:	127339934
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-20.15
Dipole, Da:	3.39
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations