Geometry & MOs

Info

ID:	333770
PubChem CID:	127252322
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	51.09
Dipole, Da:	2.69
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-6-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)CC1=NC=C(S1)C2=CN=CC(=N2)C3CCCN3

DOS

IR

Vibrations