Geometry & MOs

Info

ID:	193285
PubChem CID:	78370310
Reduced:	SO3N5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	374.101992
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	2.46
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(C(NN1)C(=O)NNC(=S)NC2=CC3=C(C=C2)OCCO3)C

DOS

IR

Vibrations