Geometry & MOs

Info

ID:	193366
PubChem CID:	78382939
Reduced:	P2O15C41H78 (1)
Stoich.:	A2B15C41D78 (1)
Weight, g/mol:	434.138378
ΔH_f, kcal/mol:	-838.97
Dipole, Da:	6.73
IP(EA), eV:	-9.54(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(4-chlorophenyl)-2,4,8-trimethyl-7-(4-methylphenyl)-9aH-purino[7,8-a]imidazol-4-ium-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCCC

DOS

IR

Vibrations