Geometry & MOs

Info

ID:	392813
PubChem CID:	135018037
Reduced:	Si2O3C26H46 (1)
Stoich.:	A2B3C26D46 (1)
Weight, g/mol:	399.95879
ΔH_f, kcal/mol:	-235.97
Dipole, Da:	2.23
IP(EA), eV:	-8.51(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O/C=C(/OC1CCCCC1C2=CC=CC=C2)\O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations