Geometry & MOs

Info

ID:	192071
PubChem CID:	78222420
Reduced:	N2O3H8C9 (2)
Stoich.:	A2B3C8D9 (2)
Weight, g/mol:	385.131208
ΔH_f, kcal/mol:	-124.76
Dipole, Da:	4.8
IP(EA), eV:	-10.07(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-8-(furan-2-ylmethoxy)-3,7-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=N1)N(C(=O)N(C2=O)C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations