Geometry & MOs

Info

ID:	206757
PubChem CID:	80296102
Reduced:	ClO2N4C10H17 (1)
Stoich.:	AB2C4D10E17 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-60.41
Dipole, Da:	4.04
IP(EA), eV:	-9.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=NC(=NC(=N1)Cl)OC

DOS

IR

Vibrations