Geometry & MOs

Info

ID:	13155
PubChem CID:	222250
Reduced:	ClN5C6H6 (1)
Stoich.:	AB5C6D6 (1)
Weight, g/mol:	183.031173
ΔH_f, kcal/mol:	71.49
Dipole, Da:	3.16
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)N)Cl

DOS

IR

Vibrations