Geometry & MOs

Info

ID:	13078
PubChem CID:	220780
Reduced:	ClN5C7H8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	197.046823
ΔH_f, kcal/mol:	71.43
Dipole, Da:	3.36
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=C2C=NN(C2=NC(=N1)Cl)C

DOS

IR

Vibrations