Geometry & MOs

Info

ID:	165660
PubChem CID:	74580743
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-113.15
Dipole, Da:	9.26
IP(EA), eV:	-8.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-(naphthalen-1-ylmethyl)-5H-purin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CCCCN(CC)C1=C(C=C(C=C1)C=CC(=O)O)F

DOS

IR

Vibrations