Geometry & MOs

Info

ID:	332818
PubChem CID:	127251242
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	5.83
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)NC1=NNC2=C1C=CC(=N2)C3CCN(C3)C(=O)C4=C(C=CC=C4OC)OC

DOS

IR

Vibrations