Geometry & MOs

Info

ID:	306085
PubChem CID:	125001608
Reduced:	FON6C27H27 (1)
Stoich.:	ABC6D27E27 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	27.95
Dipole, Da:	5.79
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(1H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=NC(=CN=C2)C[C@H]3CCCN(C3)C(=O)C4=CN=C(C=C4)CC5=CC=CC=C5F

DOS

IR

Vibrations