Geometry & MOs

Info

ID:	23988
PubChem CID:	607329
Reduced:	ClN4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	196.051574
ΔH_f, kcal/mol:	52.13
Dipole, Da:	6.17
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NNC(=C12)N)C)Cl

DOS

IR

Vibrations