Geometry & MOs

Info

ID:	333791
PubChem CID:	127252343
Reduced:	N4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	76.29
Dipole, Da:	5.26
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=CN=CN=C2)C3=CC=CC=N3

DOS

IR

Vibrations