Geometry & MOs

Info

ID:	193855
PubChem CID:	78448502
Reduced:	ON5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	385.235199
ΔH_f, kcal/mol:	22.77
Dipole, Da:	7.81
IP(EA), eV:	-8.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=[NH+]C(C2=C([N+](=NC(=O)C2=C1)C)N)N

DOS

IR

Vibrations