Geometry & MOs

Info

ID:	13478
PubChem CID:	235445
Reduced:	O2N5C10H15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	237.122575
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	1.64
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxyethyl-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC=N2)N(CCO)CCO

DOS

IR

Vibrations