Geometry & MOs

Info

ID:	184523
PubChem CID:	77172133
Reduced:	ClFN2O2C18H26 (1)
Stoich.:	ABC2D2E18F26 (1)
Weight, g/mol:	466.183892
ΔH_f, kcal/mol:	-170.55
Dipole, Da:	9.57
IP(EA), eV:	-9.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-amino-8-(furan-2-yl)-3-[2-[4-(2-methoxyethoxy)phenoxy]ethyl]-7-methyl-8H-[1,2,4]triazolo[5,1-f]purin-6-ium-2-one

Drug info:

PubChemData

Smile

C1CC2C(CC1F)C(=O)NC(C2OCCCN)C3=CC=CC=C3.Cl

DOS

IR

Vibrations