Geometry & MOs

Info

ID:	218011
PubChem CID:	85088742
Reduced:	SiO3C26H32 (1)
Stoich.:	AB3C26D32 (1)
Weight, g/mol:	421.150339
ΔH_f, kcal/mol:	-132.27
Dipole, Da:	3.46
IP(EA), eV:	-9.16(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[2-[4-(5-chloro-3-oxo-4H-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC12C(CCC3(C1C2C(=O)C3)O)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations