Geometry & MOs

Info

ID:	192671
PubChem CID:	78298830
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	457.235199
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	4.65
IP(EA), eV:	-10.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-dimethylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CCCC1C(=NC(=O)N(C1=O)C)C

DOS

IR

Vibrations