Geometry & MOs

Info

ID:	332834
PubChem CID:	127251258
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	404.23246
ΔH_f, kcal/mol:	-5.87
Dipole, Da:	7.96
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)C5CCCC5

DOS

IR

Vibrations