Geometry & MOs

Info

ID:	164725
PubChem CID:	74443924
Reduced:	O4N6C15H24 (1)
Stoich.:	A4B6C15D24 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-140.25
Dipole, Da:	6.44
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=NC3C(N2CC(=O)N)C(=O)NC(=O)N3C

DOS

IR

Vibrations