Geometry & MOs

Info

ID:	151592
PubChem CID:	55161563
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	296.086245
ΔH_f, kcal/mol:	24.28
Dipole, Da:	3.15
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(cyclohexylsulfanylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)N)CN3CCC(C3)O

DOS

IR

Vibrations