Geometry & MOs

Info

ID:	25360
PubChem CID:	623540
Reduced:	BrOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	274.073372
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	2.2
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=C(C=C(C=C2)Br)C(=O)O)Br

DOS

IR

Vibrations