Geometry & MOs

Info

ID:	13156
PubChem CID:	222254
Reduced:	BrClON4H8C12 (1)
Stoich.:	ABCD4E8F12 (1)
Weight, g/mol:	337.957
ΔH_f, kcal/mol:	71.54
Dipole, Da:	1.77
IP(EA), eV:	-9.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC(=N2)Cl)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations