Geometry & MOs

Info

ID:	166424
PubChem CID:	74688550
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	412.178493
ΔH_f, kcal/mol:	-154.39
Dipole, Da:	2.23
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-fluorophenyl)methyl]-4,7-dimethyl-6-(oxolan-2-ylmethyl)-9aH-purino[7,8-a]imidazol-9-ium-1,3-dione

Drug info:

PubChemData

Smile

CC1(CC2=NNC(=O)C2=C(C1C(=O)OC)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations